data_CoW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Se
_chemical_formula_sum   'Co1 W2 Se1'
_cell_volume   61.34
_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  0.11  1.0
  W  W2  1  0.0  0.0  0.05  1.0
  W  W3  1  0.67  0.0  0.93  1.0
  Se  Se1  1  0.67  0.0  0.23  1.0

data_CoW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Se
_chemical_formula_sum   'Co1 W2 Se1'
_cell_volume   61.34
_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  0.11  1.0
  W  W1  1  0.0  0.0  0.05  1.0
  W  W2  1  0.67  0.0  0.93  1.0
  Se  Se3  1  0.67  0.0  0.23  1.0

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