data_MoPBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   6.91
_cell_length_c   3.24
_cell_angle_alpha   81.92
_cell_angle_beta   71.67
_cell_angle_gamma   26.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPBr
_chemical_formula_sum   'Mo1 P1 Br1'
_cell_volume   64.07
_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
  Mo  Mo1  1  0.77  0.71  0.25  1.0
  P  P2  1  0.77  0.71  0.45  1.0
  Br  Br0  1  0.77  0.71  1.0  1.0

data_MoPBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.54
_cell_length_b   13.35
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   123.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoPBr
_chemical_formula_sum   'Mo2 P2 Br2'
_cell_volume   128.15
_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
  Mo  Mo0  2  0.27  0.5  0.02  1.0
  P  P1  2  0.27  0.5  0.23  1.0
  Br  Br2  2  0.27  0.5  0.77  1.0

Mo P Br
Mo P Br 0 1 o o o 0 2 o o - 