data_Mo2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.23
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WSe
_chemical_formula_sum   'Mo2 W1 Se1'
_cell_volume   64.7
_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  0.93  0.0  0.09  1.0
  Mo  Mo1  1  0.43  0.12  0.29  1.0
  W  W3  1  0.34  0.12  0.91  1.0
  Se  Se2  1  0.03  0.0  0.52  1.0

data_Mo2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.23
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WSe
_chemical_formula_sum   'Mo2 W1 Se1'
_cell_volume   64.7
_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  0.43  0.12  0.29  1.0
  Mo  Mo1  1  0.93  0.0  0.09  1.0
  W  W2  1  0.34  0.12  0.91  1.0
  Se  Se3  1  0.03  0.0  0.52  1.0

Mo Mo W Se
Mo Mo W Se 0 2 o o - 0 2 + o - 0 1 o o o 0 1 + o o 0 3 + o o 1 3 o o o 1 3 + o o 1 2 o o - 2 3 o o o 