data_Nb2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2WSe
_chemical_formula_sum   'Nb2 W1 Se1'
_cell_volume   70.61
_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
  Nb  Nb0  1  0.0  0.0  0.05  1.0
  Nb  Nb1  1  0.66  0.0  0.34  1.0
  W  W3  1  0.66  0.0  0.15  1.0
  Se  Se2  1  0.0  0.0  0.28  1.0

data_Nb2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2WSe
_chemical_formula_sum   'Nb2 W1 Se1'
_cell_volume   70.61
_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
  Nb  Nb0  1  0.0  0.0  0.05  1.0
  Nb  Nb1  1  0.66  0.0  0.34  1.0
  W  W2  1  0.66  0.0  0.15  1.0
  Se  Se3  1  0.0  0.0  0.28  1.0

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