data_[Zn8In4]
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 [Cm]
_cell_length_a [11.6569]
_cell_length_b [3.0726]
_cell_length_c [6.7062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2In]
_chemical_formula_sum '[Zn8 In4]'
_cell_volume [240.1136]
_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  2  0.0656  0.0000  0.6163  1.0
  Zn  Zn1  2  0.1788  0.5000  0.8925  1.0
  Zn  Zn2  2  0.3174  0.0000  0.6672  1.0
  Zn  Zn3  2  0.4501  0.0000  0.3569  1.0
  In  In4  2  0.2115  0.5000  0.3090  1.0
  In  In5  2  0.4432  0.5000  0.9916  1.0
]