data_CoWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   7.86
_cell_length_c   7.86
_cell_angle_alpha   23.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoWCl2
_chemical_formula_sum   'Co1 W1 Cl2'
_cell_volume   75.63
_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  Co2  1  0.0  0.0  0.45  1.0
  W  W3  1  0.51  0.0  0.96  1.0
  Cl  Cl0  1  0.0  0.0  0.06  1.0
  Cl  Cl1  1  0.51  0.0  0.1  1.0

data_CoWCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.02
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CoWCl2
_chemical_formula_sum   'Co1 W1 Cl2'
_cell_volume   75.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.45  1.0
  W  W1  1  0.96  0.5  0.96  1.0
  Cl  Cl2  1  0.06  0.0  0.06  1.0
  Cl  Cl3  1  0.1  0.5  0.1  1.0

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