[CIF]
data_Ba2MgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31589278
_cell_length_b   6.31589278
_cell_length_c   3.97178015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgBr
_chemical_formula_sum   'Ba2 Mg1 Br1'
_cell_volume   158.43630246
_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
  Ba  Ba0  1  0.00000000  3.15794639  1.98589008  1
  Ba  Ba1  1  3.15794639  0.00000000  1.98589008  1
  Br  Br2  1  3.15794639  3.15794639  0.00000000  1
  Mg  Mg3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
