data_[Mg6Ga2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.8681]
_cell_length_b [4.6046]
_cell_length_c [9.5424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Mg3GaBi]
_chemical_formula_sum '[Mg6 Ga2 Bi2]'
_cell_volume [257.8373]
_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  0.0000  0.5000  0.0000  1
  Mg  Mg1  2  0.2500  0.0000  0.7968  1
  Mg  Mg2  2  0.2500  0.5000  0.2912  1
  Ga  Ga3  2  0.2500  0.0000  0.0955  1
  Bi  Bi4  2  0.2500  0.5000  0.6122  1
]