data_[Mg10Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.6010]
_cell_length_b [8.6010]
_cell_length_c [6.2611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Mg5Cd4]
_chemical_formula_sum '[Mg10 Cd8]'
_cell_volume [401.1231]
_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
[
  Mg  Mg0  6  0.0000  0.3076  0.7500  1.0
  Mg  Mg1  4  0.3333  0.6667  0.5000  1.0
  Cd  Cd2  6  0.0000  0.3607  0.2500  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
]