data_[Mg12Cd10Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4518]
_cell_length_b [13.5617]
_cell_length_c [8.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg6Cd5Cu]
_chemical_formula_sum '[Mg12 Cd10 Cu2]'
_cell_volume [497.6303]
_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  8  0.0000  0.1617  0.2392  1
  Mg  Mg1  4  0.0000  0.5000  0.2304  1
  Cd  Cd2  4  0.0000  0.3331  0.5000  1
  Cd  Cd3  4  0.0000  0.3357  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Cu  Cu5  2  0.0000  0.0000  0.0000  1
]