data_MgSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   153.3
_cell_angle_beta   139.35
_cell_angle_gamma   49.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbBr2
_chemical_formula_sum   'Mg1 Sb1 Br2'
_cell_volume   135.84
_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  Mg2  1  0.0  0.0  0.55  1.0
  Sb  Sb3  1  0.0  0.69  0.91  1.0
  Br  Br0  1  0.0  0.0  0.91  1.0
  Br  Br1  1  0.79  0.0  0.73  1.0

data_MgSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.39
_cell_length_c   7.75
_cell_angle_alpha   110.32
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbBr2
_chemical_formula_sum   'Mg1 Sb1 Br2'
_cell_volume   135.84
_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  0.55  0.55  1.0
  Sb  Sb1  1  0.31  0.21  0.21  1.0
  Br  Br2  1  0.0  0.73  0.94  1.0
  Br  Br3  1  0.0  0.91  0.91  1.0

Mg Sb Br Br