data_Co2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.0
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   92.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PCl
_chemical_formula_sum   'Co2 P1 Cl1'
_cell_volume   54.35
_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  0.92  0.5  0.08  1.0
  Co  Co2  1  0.7  0.5  0.18  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.31  0.0  0.13  1.0

data_Co2PCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.89
_cell_length_b   3.0
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   92.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co2PCl
_chemical_formula_sum   'Co2 P1 Cl1'
_cell_volume   54.35
_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  0.7  0.5  0.18  1.0
  Co  Co1  1  0.92  0.5  0.08  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.31  0.0  0.13  1.0

Co Co P Cl
Co Co P Cl 0 1 o o o 2 3 o o o 