data_SbMo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.42
_cell_angle_alpha   105.48
_cell_angle_beta   105.48
_cell_angle_gamma   117.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Br
_chemical_formula_sum   'Sb1 Mo2 Br1'
_cell_volume   76.95
_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  0.83  0.0  0.0  1.0
  Mo  Mo1  1  0.54  0.31  0.47  1.0
  Mo  Mo2  1  0.54  0.69  0.47  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SbMo2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.89
_cell_length_c   5.43
_cell_angle_alpha   114.66
_cell_angle_beta   105.48
_cell_angle_gamma   96.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Br
_chemical_formula_sum   'Sb1 Mo2 Br1'
_cell_volume   76.95
_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  Sb0  1  0.0  0.0  0.83  1.0
  Mo  Mo1  1  0.15  0.69  0.23  1.0
  Mo  Mo2  1  0.78  0.31  0.86  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sb Mo Mo Br