data_CoW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.29
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Cl
_chemical_formula_sum   'Co1 W2 Cl1'
_cell_volume   52.66
_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  Co1  1  0.41  0.14  0.0  1.0
  W  W2  1  0.41  0.0  0.18  1.0
  W  W3  1  0.0  0.14  0.18  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.29
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW2Cl
_chemical_formula_sum   'Co1 W2 Cl1'
_cell_volume   52.66
_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  0.41  0.14  0.0  1.0
  W  W1  1  -0.0  0.14  0.18  1.0
  W  W2  1  0.41  0.0  0.18  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co W W Cl
Co W W Cl 0 1 o o o 2 3 o o o 