data_[Ca8Mg8Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1038]
_cell_length_b [6.0728]
_cell_length_c [10.3798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaMgCd]
_chemical_formula_sum '[Ca8 Mg8 Cd8]'
_cell_volume [636.8908]
_cell_formula_units_Z [8]
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
[
  Ca  Ca0  4  0.1947  0.0000  0.6657  1.0
  Ca  Ca1  4  0.3131  0.0000  0.3324  1.0
  Mg  Mg2  4  0.0000  0.2481  0.4158  1.0
  Mg  Mg3  2  0.0000  0.0000  0.1682  1.0
  Mg  Mg4  2  0.5000  0.0000  0.8352  1.0
  Cd  Cd5  4  0.2477  0.0000  0.9982  1.0
  Cd  Cd6  4  0.5000  0.2447  0.5862  1.0
]