data_Mo2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   138.84
_cell_angle_beta   138.84
_cell_angle_gamma   59.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WSe
_chemical_formula_sum   'Mo2 W1 Se1'
_cell_volume   64.14
_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  0.0  0.61  1.0
  Mo  Mo1  1  0.0  0.87  0.3  1.0
  W  W3  1  0.87  0.0  0.3  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Mo2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   5.31
_cell_angle_alpha   110.58
_cell_angle_beta   110.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WSe
_chemical_formula_sum   'Mo2 W1 Se1'
_cell_volume   64.14
_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  0.44  0.3  0.44  1.0
  Mo  Mo1  1  0.61  0.61  0.61  1.0
  W  W2  1  0.3  0.44  0.44  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Mo Mo W Se