data_MoW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoW2Se
_chemical_formula_sum   'Mo1 W2 Se1'
_cell_volume   65.05
_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  0.59  0.0  0.0  1.0
  W  W2  1  0.3  0.1  0.5  1.0
  W  W3  1  0.3  0.9  0.5  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_MoW2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.93
_cell_length_b   2.99
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   116.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MoW2Se
_chemical_formula_sum   'Mo1 W2 Se1'
_cell_volume   65.05
_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  0.59  0.0  0.0  1.0
  W  W1  1  0.3  0.5  0.1  1.0
  W  W2  1  0.3  0.5  0.9  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Mo W W Se