data_CoW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   146.27
_cell_angle_beta   128.43
_cell_angle_gamma   63.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Se
_chemical_formula_sum   'Co1 W2 Se1'
_cell_volume   57.65
_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
  Co  Co0  1  0.0  0.0  0.55  1.0
  W  W2  1  0.0  0.0  0.52  1.0
  W  W3  1  0.48  0.0  0.31  1.0
  Se  Se1  1  0.0  0.23  0.06  1.0

data_CoW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.45
_cell_length_c   5.12
_cell_angle_alpha   115.79
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Se
_chemical_formula_sum   'Co1 W2 Se1'
_cell_volume   57.65
_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
  Co  Co0  1  0.45  0.45  0.45  1.0
  W  W1  1  0.17  0.69  0.17  1.0
  W  W2  1  0.48  0.48  0.48  1.0
  Se  Se3  1  0.94  0.17  0.17  1.0

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