File size: 1,758 Bytes
c1d36db | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 | # generated using pymatgen
data_TbPr4Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.06099718
_cell_length_b 10.06099718
_cell_length_c 6.36480146
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbPr4Te5
_chemical_formula_sum 'Tb2 Pr8 Te10'
_cell_volume 644.26852604
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb Tb0 1 0.50000000 0.50000000 0.50000000 1.0
Tb Tb1 1 0.00000000 0.00000000 0.00000000 1.0
Pr Pr2 1 0.40805043 0.80982659 0.00000000 1.0
Pr Pr3 1 0.19017341 0.40805043 0.00000000 1.0
Pr Pr4 1 0.69017341 0.90805043 0.50000000 1.0
Pr Pr5 1 0.90805043 0.30982659 0.50000000 1.0
Pr Pr6 1 0.30982659 0.09194957 0.50000000 1.0
Pr Pr7 1 0.09194957 0.69017341 0.50000000 1.0
Pr Pr8 1 0.59194957 0.19017341 0.00000000 1.0
Pr Pr9 1 0.80982659 0.59194957 0.00000000 1.0
Te Te10 1 0.39669177 0.78747974 0.50000000 1.0
Te Te11 1 0.21252026 0.39669177 0.50000000 1.0
Te Te12 1 0.71252026 0.89669177 0.00000000 1.0
Te Te13 1 0.89669177 0.28747974 0.00000000 1.0
Te Te14 1 0.28747974 0.10330823 0.00000000 1.0
Te Te15 1 0.10330823 0.71252026 0.00000000 1.0
Te Te16 1 0.60330823 0.21252026 0.50000000 1.0
Te Te17 1 0.78747974 0.60330823 0.50000000 1.0
Te Te18 1 0.50000000 0.50000000 0.00000000 1.0
Te Te19 1 0.00000000 0.00000000 0.50000000 1.0
|