data_[Mg4Cd12In8]
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/c]
_cell_length_a [8.9140]
_cell_length_b [11.2250]
_cell_length_c [6.0231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgCd3In2]
_chemical_formula_sum '[Mg4 Cd12 In8]'
_cell_volume [596.2314]
_cell_formula_units_Z [4]
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  0.0000  0.0554  0.2500  1
  Cd  Cd1  8  0.1940  0.4800  0.9735  1
  Cd  Cd2  4  0.0000  0.3215  0.2500  1
  In  In3  8  0.1645  0.2363  0.7217  1
]