data_[Zr8Bi2Te6]
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 [Pmmn]
_cell_length_a [5.4034]
_cell_length_b [10.8115]
_cell_length_c [7.2397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Zr4BiTe3]
_chemical_formula_sum '[Zr8 Bi2 Te6]'
_cell_volume [422.9348]
_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
[
  Zr  Zr0  4  0.0000  0.2512  0.3720  1.0
  Zr  Zr1  2  0.0000  0.0000  0.6287  1.0
  Zr  Zr2  2  0.0000  0.5000  0.6243  1.0
  Bi  Bi3  2  0.0000  0.0000  0.1864  1.0
  Te  Te4  4  0.0000  0.2508  0.7916  1.0
  Te  Te5  2  0.0000  0.5000  0.2034  1.0
]