data_SbMoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoBr2
_chemical_formula_sum   'Sb1 Mo1 Br2'
_cell_volume   96.18
_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
  Sb  Sb3  1  0.6  0.6  0.51  1.0
  Mo  Mo2  1  0.0  0.0  0.66  1.0
  Br  Br0  1  0.0  0.0  0.23  1.0
  Br  Br1  1  0.6  0.6  0.08  1.0

data_SbMoBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbMoBr2
_chemical_formula_sum   'Sb2 Mo2 Br4'
_cell_volume   192.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sb  Sb0  2  0.1  0.5  0.51  1.0
  Mo  Mo1  2  0.0  0.0  0.66  1.0
  Br  Br2  2  0.0  0.0  0.23  1.0
  Br  Br3  2  0.1  0.5  0.08  1.0

Sb Mo Br Br