data_[Mg14Cd1Sn1]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3507]
_cell_length_b [6.3507]
_cell_length_c [10.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14CdSn]
_chemical_formula_sum '[Mg14 Cd1 Sn1]'
_cell_volume [366.3933]
_cell_formula_units_Z [1]
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  0.1671  0.3342  0.2528  1.0
  Mg  Mg1  3  0.0006  0.5003  0.5000  1.0
  Mg  Mg2  3  0.5002  0.4998  0.0000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7486  1.0
  Cd  Cd4  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0000  1.0
]