data_[Ba8Mg8Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4755]
_cell_length_b [5.3868]
_cell_length_c [12.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Mg2Cd]
_chemical_formula_sum '[Ba8 Mg8 Cd4]'
_cell_volume [766.3302]
_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  0.0842  0.0000  0.8840  1.0
  Ba  Ba1  4  0.1766  0.5000  0.6642  1.0
  Mg  Mg2  4  0.0961  0.0000  0.4478  1.0
  Mg  Mg3  4  0.1188  0.5000  0.1193  1.0
  Cd  Cd4  4  0.1274  0.5000  0.3543  1.0
]