data_[Mg10Cd4]
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 [C2/m]
_cell_length_a [9.8748]
_cell_length_b [4.3244]
_cell_length_c [7.3121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5Cd2]
_chemical_formula_sum '[Mg10 Cd4]'
_cell_volume [309.0785]
_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  4  0.1395  0.5000  0.9274  1
  Mg  Mg1  4  0.2152  0.0000  0.6458  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  Cd  Cd3  4  0.0746  0.0000  0.2193  1
]