data_CrW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   131.54
_cell_angle_beta   131.54
_cell_angle_gamma   70.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrW2Se
_chemical_formula_sum   'Cr1 W2 Se1'
_cell_volume   61.7
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.93  1.0
  W  W3  1  0.0  0.98  0.97  1.0
  Se  Se1  1  0.98  0.0  0.97  1.0

data_CrW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   4.83
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrW2Se
_chemical_formula_sum   'Cr1 W2 Se1'
_cell_volume   61.7
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.93  0.93  0.93  1.0
  W  W2  1  0.98  0.97  0.98  1.0
  Se  Se3  1  0.97  0.98  0.98  1.0

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