data_[Zn4In8]
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 [C2/m]
_cell_length_a [10.9667]
_cell_length_b [3.3704]
_cell_length_c [8.5471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnIn2]
_chemical_formula_sum '[Zn4 In8]'
_cell_volume [284.3691]
_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
[
  Zn  Zn0  4  0.2023  0.0000  0.0854  1.0
  In  In1  4  0.0093  0.5000  0.2012  1.0
  In  In2  4  0.1607  0.0000  0.5918  1.0
]