data_Mo2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   2.9
_cell_angle_alpha   97.75
_cell_angle_beta   97.75
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PtBr
_chemical_formula_sum   'Mo2 Pt1 Br1'
_cell_volume   66.74
_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  0.97  0.79  0.4  1.0
  Mo  Mo2  1  0.97  0.21  0.4  1.0
  Pt  Pt3  1  0.7  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mo2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   117.07
_cell_angle_beta   97.75
_cell_angle_gamma   97.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PtBr
_chemical_formula_sum   'Mo2 Pt1 Br1'
_cell_volume   66.74
_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  Mo0  1  0.4  0.97  0.21  1.0
  Mo  Mo1  1  0.4  0.97  0.79  1.0
  Pt  Pt2  1  0.0  0.7  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Mo Mo Pt Br