data_[Ba10Ca4Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [10.1353]
_cell_length_b [19.1337]
_cell_length_c [4.2570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ba5Ca2Cd]
_chemical_formula_sum '[Ba10 Ca4 Cd2]'
_cell_volume [825.5403]
_cell_formula_units_Z [2]
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  0.0122  0.2257  0.0000  1
  Ba  Ba1  4  0.2005  0.3916  0.5000  1
  Ba  Ba2  2  0.0000  0.0000  0.0000  1
  Ca  Ca3  4  0.1843  0.6037  0.5000  1
  Cd  Cd4  2  0.0000  0.5000  0.0000  1
]