data_[Mg12In10Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6865]
_cell_length_b [14.4589]
_cell_length_c [8.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg6In5Bi]
_chemical_formula_sum '[Mg12 In10 Bi2]'
_cell_volume [585.2686]
_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  8  0.0000  0.1687  0.2569  1.0
  Mg  Mg1  4  0.0000  0.5000  0.2540  1.0
  In  In2  4  0.0000  0.3282  0.0000  1.0
  In  In3  4  0.0000  0.3365  0.5000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi5  2  0.0000  0.0000  0.0000  1.0
]