[CIF]
data_Mg2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39564239
_cell_length_b   5.39564239
_cell_length_c   3.54070464
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BiBr
_chemical_formula_sum   'Mg2 Bi1 Br1'
_cell_volume   103.08038116
_cell_formula_units_Z   1
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
  Bi  Bi0  1  2.69782119  2.69782119  0.00000000  1
  Br  Br1  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg2  1  0.00000000  2.69782119  1.77035232  1
  Mg  Mg3  1  2.69782119  0.00000000  1.77035232  1
[/CIF]
