data_[Mg6Cd14]
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 [16.3005]
_cell_length_b [4.3949]
_cell_length_c [6.3676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Cd7]
_chemical_formula_sum '[Mg6 Cd14]'
_cell_volume [446.3223]
_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  0.1969  0.0000  0.6027  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1003  0.5000  0.8055  1.0
  Cd  Cd3  4  0.1020  0.5000  0.3033  1.0
  Cd  Cd4  4  0.2010  0.0000  0.1098  1.0
  Cd  Cd5  2  0.0000  0.0000  0.5000  1.0
]