data_[Zr8Bi4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8204]
_cell_length_b [7.2906]
_cell_length_c [7.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr2BiTe]
_chemical_formula_sum '[Zr8 Bi4 Te4]'
_cell_volume [412.5202]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.1375  0.1889  0.9956  1.0
  Zr  Zr1  4  0.3830  0.6875  0.5056  1.0
  Bi  Bi2  4  0.1218  0.5790  0.7979  1.0
  Te  Te3  4  0.3763  0.0731  0.7041  1.0
]