data_[Zr16Bi4Te4]
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 [C2/c]
_cell_length_a [15.0882]
_cell_length_b [5.5344]
_cell_length_c [7.3416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4BiTe]
_chemical_formula_sum '[Zr16 Bi4 Te4]'
_cell_volume [606.1507]
_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  8  0.0680  0.3864  0.9168  1
  Zr  Zr1  8  0.1695  0.1693  0.6232  1
  Bi  Bi2  4  0.0000  0.1202  0.2500  1
  Te  Te3  4  0.2500  0.2500  0.0000  1
]