data_[Zn8In8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.8475]
_cell_length_b [5.8937]
_cell_length_c [10.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ZnIn]
_chemical_formula_sum '[Zn8 In8]'
_cell_volume [352.9121]
_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  4  0.1282  0.1051  0.2417  1.0
  Zn  Zn1  4  0.1363  0.4110  0.4270  1.0
  In  In2  4  0.1169  0.9087  0.4998  1.0
  In  In3  4  0.1270  0.3853  0.6979  1.0
]