data_Mo2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   149.7
_cell_angle_beta   123.97
_cell_angle_gamma   65.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PbBr
_chemical_formula_sum   'Mo2 Pb1 Br1'
_cell_volume   78.63
_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  0.0  0.7  0.56  1.0
  Mo  Mo2  1  0.5  0.0  0.29  1.0
  Pb  Pb3  1  0.0  0.0  0.85  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mo2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.4
_cell_length_c   5.75
_cell_angle_alpha   118.01
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PbBr
_chemical_formula_sum   'Mo2 Pb1 Br1'
_cell_volume   78.63
_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  0.0  0.29  0.79  1.0
  Mo  Mo1  1  0.3  0.86  0.86  1.0
  Pb  Pb2  1  0.0  0.85  0.85  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Mo Mo Pb Br