data_CoPCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPCl3
_chemical_formula_sum   'Co2 P2 Cl6'
_cell_volume   194.62
_cell_formula_units_Z   2
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  Co6  1  0.0  0.0  0.0  1.0
  Co  Co7  1  0.0  0.0  0.87  1.0
  P  P8  1  0.0  0.61  0.44  1.0
  P  P9  1  0.13  0.81  0.31  1.0
  Cl  Cl0  1  0.13  0.68  0.44  1.0
  Cl  Cl1  1  0.51  0.87  0.44  1.0
  Cl  Cl2  1  0.75  0.87  0.44  1.0
  Cl  Cl3  1  0.0  0.74  0.31  1.0
  Cl  Cl4  1  0.62  0.55  0.31  1.0
  Cl  Cl5  1  0.38  0.55  0.31  1.0

data_CoPCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPCl3
_chemical_formula_sum   'Co2 P2 Cl6'
_cell_volume   194.62
_cell_formula_units_Z   2
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  0.0  1.0
  Co  Co1  1  0.87  0.0  0.0  1.0
  P  P2  1  0.31  0.13  0.81  1.0
  P  P3  1  0.44  -0.0  0.61  1.0
  Cl  Cl4  1  0.31  -0.0  0.74  1.0
  Cl  Cl5  1  0.31  0.38  0.55  1.0
  Cl  Cl6  1  0.31  0.62  0.55  1.0
  Cl  Cl7  1  0.44  0.13  0.68  1.0
  Cl  Cl8  1  0.44  0.51  0.87  1.0
  Cl  Cl9  1  0.44  0.75  0.87  1.0

Co Co P P Cl Cl Cl Cl Cl Cl