data_[Mg12Cd6In2]
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 [P2_1/m]
_cell_length_a [8.4923]
_cell_length_b [5.1856]
_cell_length_c [10.8131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6Cd3In]
_chemical_formula_sum '[Mg12 Cd6 In2]'
_cell_volume [447.6421]
_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  2  0.0809  0.2500  0.8171  1.0
  Mg  Mg1  2  0.1130  0.2500  0.3266  1.0
  Mg  Mg2  2  0.2900  0.2500  0.6265  1.0
  Mg  Mg3  2  0.2938  0.7500  0.7955  1.0
  Mg  Mg4  2  0.3011  0.2500  0.1150  1.0
  Mg  Mg5  2  0.4890  0.7500  0.5822  1.0
  Cd  Cd6  2  0.0924  0.7500  0.9747  1.0
  Cd  Cd7  2  0.1048  0.7500  0.4912  1.0
  Cd  Cd8  2  0.4840  0.2500  0.9145  1.0
  In  In9  2  0.3138  0.7500  0.2849  1.0
]