data_[Mg8Cd6In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0661]
_cell_length_b [4.3993]
_cell_length_c [9.6335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg4Cd3In2]
_chemical_formula_sum '[Mg8 Cd6 In4]'
_cell_volume [407.4728]
_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  0.0070  0.0000  0.3332  1
  Mg  Mg1  4  0.1629  0.5000  0.8896  1
  Cd  Cd2  4  0.1588  0.5000  0.5566  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  In  In4  4  0.1749  0.5000  0.2216  1
]