data_[Ba9Mg3Cd24]
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 [R3m]
_cell_length_a [6.2702]
_cell_length_b [6.2702]
_cell_length_c [31.7054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3MgCd8]
_chemical_formula_sum '[Ba9 Mg3 Cd24]'
_cell_volume [1079.5085]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3756  1.0
  Ba  Ba1  3  0.0000  0.0000  0.5040  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9950  1.0
  Mg  Mg3  3  0.0000  0.0000  0.8711  1.0
  Cd  Cd4  9  0.0023  0.5012  0.4397  1.0
  Cd  Cd5  9  0.1674  0.3347  0.2700  1.0
  Cd  Cd6  3  0.0000  0.0000  0.1888  1.0
  Cd  Cd7  3  0.0000  0.0000  0.6865  1.0
]