data_[Mg7Cd2Sn1]
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 [P3m1]
_cell_length_a [4.8494]
_cell_length_b [4.8494]
_cell_length_c [11.9804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Mg7Cd2Sn]
_chemical_formula_sum '[Mg7 Cd2 Sn1]'
_cell_volume [243.9970]
_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  1  0.0000  0.0000  0.2765  1
  Mg  Mg1  1  0.0000  0.0000  0.7355  1
  Mg  Mg2  1  0.3333  0.6667  0.4427  1
  Mg  Mg3  1  0.3333  0.6667  0.9459  1
  Mg  Mg4  1  0.6667  0.3333  0.1167  1
  Mg  Mg5  1  0.6667  0.3333  0.5912  1
  Mg  Mg6  1  0.6667  0.3333  0.8425  1
  Cd  Cd7  1  0.3333  0.6667  0.6942  1
  Cd  Cd8  1  0.6667  0.3333  0.3542  1
  Sn  Sn9  1  0.0000  0.0000  0.0171  1
]