data_MoWBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   142.88
_cell_angle_beta   126.36
_cell_angle_gamma   67.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoWBr
_chemical_formula_sum   'Mo1 W1 Br1'
_cell_volume   51.0
_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  0.0  0.28  1.0
  W  W2  1  0.0  0.0  0.61  1.0
  Br  Br0  1  0.0  0.0  0.01  1.0

data_MoWBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.28
_cell_length_c   4.74
_cell_angle_alpha   116.82
_cell_angle_beta   108.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoWBr
_chemical_formula_sum   'Mo1 W1 Br1'
_cell_volume   51.0
_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  0.72  0.72  0.72  1.0
  W  W1  1  0.39  0.39  0.39  1.0
  Br  Br2  1  0.99  0.99  0.99  1.0

Mo W Br