data_[Ba12Zn4In4]
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 [P2_1/c]
_cell_length_a [10.9718]
_cell_length_b [6.9352]
_cell_length_c [13.5896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3ZnIn]
_chemical_formula_sum '[Ba12 Zn4 In4]'
_cell_volume [906.8538]
_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  0.0454  0.6086  0.6617  1.0
  Ba  Ba1  4  0.3250  0.1655  0.6633  1.0
  Ba  Ba2  4  0.3639  0.7121  0.4658  1.0
  Zn  Zn3  4  0.2711  0.1992  0.3876  1.0
  In  In4  4  0.0464  0.6062  0.9271  1.0
]