data_MgInBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.08
_cell_angle_alpha   114.8
_cell_angle_beta   114.8
_cell_angle_gamma   32.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInBr2
_chemical_formula_sum   'Mg1 In1 Br2'
_cell_volume   129.17
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.02  0.0  0.74  1.0
  Br  Br0  1  0.09  0.0  0.57  1.0
  Br  Br1  1  0.95  0.0  0.9  1.0

data_MgInBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   6.08
_cell_length_c   6.62
_cell_angle_alpha   114.8
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInBr2
_chemical_formula_sum   'Mg1 In1 Br2'
_cell_volume   129.17
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.74  0.02  1.0
  Br  Br2  1  0.0  0.57  0.09  1.0
  Br  Br3  1  0.0  0.9  0.95  1.0

Mg In Br Br