data_[Ba8Zn8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.0281]
_cell_length_b [5.0879]
_cell_length_c [12.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Zn2In]
_chemical_formula_sum '[Ba8 Zn8 In4]'
_cell_volume [649.8699]
_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
[
  Ba  Ba0  4  0.0160  0.5000  0.3332  1.0
  Ba  Ba1  4  0.2080  0.5000  0.1180  1.0
  Zn  Zn2  4  0.0016  0.0000  0.1068  1.0
  Zn  Zn3  4  0.1312  0.0000  0.5506  1.0
  In  In4  4  0.2281  0.0000  0.3570  1.0
]