data_Cr2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.42
_cell_angle_alpha   105.67
_cell_angle_beta   105.67
_cell_angle_gamma   37.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2WSe
_chemical_formula_sum   'Cr2 W1 Se1'
_cell_volume   55.53
_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
  Cr  Cr0  1  0.45  0.0  0.93  1.0
  Cr  Cr1  1  0.3  0.0  0.39  1.0
  W  W3  1  0.25  0.0  0.2  1.0
  Se  Se2  1  0.82  0.0  0.07  1.0

data_Cr2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.42
_cell_length_c   4.64
_cell_angle_alpha   105.67
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2WSe
_chemical_formula_sum   'Cr2 W1 Se1'
_cell_volume   55.53
_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
  Cr  Cr0  1  0.0  0.39  0.3  1.0
  Cr  Cr1  1  0.0  0.93  0.45  1.0
  W  W2  1  0.0  0.2  0.25  1.0
  Se  Se3  1  0.0  0.07  0.82  1.0

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