data_[Mg2Ga2Bi4]
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 [Cm]
_cell_length_a [7.3677]
_cell_length_b [5.3845]
_cell_length_c [6.4142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgGaBi2]
_chemical_formula_sum '[Mg2 Ga2 Bi4]'
_cell_volume [229.9848]
_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  0.1443  0.5000  0.0123  1
  Ga  Ga1  2  0.0543  0.5000  0.4898  1
  Bi  Bi2  2  0.1062  0.0000  0.2329  1
  Bi  Bi3  2  0.1952  0.0000  0.7650  1
]