data_[Ca16Mg8Cd24]
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 [Fmmm]
_cell_length_a [7.2720]
_cell_length_b [10.1406]
_cell_length_c [17.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ca2MgCd3]
_chemical_formula_sum '[Ca16 Mg8 Cd24]'
_cell_volume [1291.9914]
_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  8  0.2474  0.0000  0.0000  1.0
  Ca  Ca1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  8  0.0000  0.0000  0.3330  1.0
  Cd  Cd3  16  0.0000  0.2491  0.4165  1.0
  Cd  Cd4  8  0.0000  0.0000  0.1677  1.0
]