data_[Mg12In4Bi8]
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 [C2/c]
_cell_length_a [15.1402]
_cell_length_b [6.3933]
_cell_length_c [6.7991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg3InBi2]
_chemical_formula_sum '[Mg12 In4 Bi8]'
_cell_volume [640.2258]
_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  8  0.1583  0.0001  0.0837  1
  Mg  Mg1  4  0.0000  0.2862  0.2500  1
  In  In2  4  0.0000  0.1950  0.7500  1
  Bi  Bi3  8  0.1613  0.4986  0.0707  1
]