data_[Ba4Cd3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.0792]
_cell_length_b [5.1562]
_cell_length_c [12.7205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba4Cd3In]
_chemical_formula_sum '[Ba4 Cd3 In1]'
_cell_volume [333.1393]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8581  1.0
  Ba  Ba1  1  0.0000  0.5000  0.3573  1.0
  Ba  Ba2  1  0.5000  0.0000  0.1416  1.0
  Ba  Ba3  1  0.5000  0.5000  0.6443  1.0
  Cd  Cd4  1  0.0000  0.0000  0.5655  1.0
  Cd  Cd5  1  0.0000  0.5000  0.0656  1.0
  Cd  Cd6  1  0.5000  0.0000  0.4340  1.0
  In  In7  1  0.5000  0.5000  0.9337  1.0
]