data_CrWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   22.31
_cell_angle_beta   22.31
_cell_angle_gamma   22.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrWSe2
_chemical_formula_sum   'Cr1 W1 Se2'
_cell_volume   61.62
_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  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.51  1.0
  Se  Se1  1  0.0  0.0  0.87  1.0
  Se  Se2  1  0.0  0.0  0.15  1.0

data_CrWSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.05
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrWSe2
_chemical_formula_sum   'Cr2 W2 Se4'
_cell_volume   123.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  W  W1  2  -0.0  0.0  0.49  1.0
  Se  Se2  2  -0.0  0.0  0.13  1.0
  Se  Se3  2  0.0  0.0  0.85  1.0

Cr W Se Se