data_[Zn16In8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.8225]
_cell_length_b [12.6972]
_cell_length_c [7.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Zn2InSb2]
_chemical_formula_sum '[Zn16 In8 Sb16]'
_cell_volume [1045.2850]
_cell_formula_units_Z [8]
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
[
  Zn  Zn0  8  0.0000  0.1477  0.6277  1.0
  Zn  Zn1  8  0.1279  0.0000  0.1425  1.0
  In  In2  8  0.2500  0.2500  0.2519  1.0
  Sb  Sb3  8  0.0000  0.1587  0.9815  1.0
  Sb  Sb4  8  0.1498  0.0000  0.4856  1.0
]