data_MoWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.0
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   91.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoWCl2
_chemical_formula_sum   'Mo1 W1 Cl2'
_cell_volume   86.31
_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  Mo2  1  0.16  0.0  0.59  1.0
  W  W3  1  0.85  0.5  0.07  1.0
  Cl  Cl0  1  0.87  0.0  0.98  1.0
  Cl  Cl1  1  0.17  0.5  0.68  1.0

data_MoWCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.37
_cell_length_b   3.0
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   91.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MoWCl2
_chemical_formula_sum   'Mo1 W1 Cl2'
_cell_volume   86.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.16  0.0  0.59  1.0
  W  W1  1  0.85  0.5  0.07  1.0
  Cl  Cl2  1  0.17  0.5  0.68  1.0
  Cl  Cl3  1  0.87  0.0  0.98  1.0

Mo W Cl Cl