data_[Zr16Bi2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0742]
_cell_length_b [13.1419]
_cell_length_c [5.5304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr8BiSb2]
_chemical_formula_sum '[Zr16 Bi2 Sb4]'
_cell_volume [529.4628]
_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  8  0.2057  0.1139  0.1133  1
  Zr  Zr1  4  0.0000  0.2310  0.5000  1
  Zr  Zr2  4  0.0919  0.5000  0.3131  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
  Sb  Sb4  4  0.0000  0.3049  0.0000  1
]