data_Co2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   2.87
_cell_angle_alpha   102.41
_cell_angle_beta   102.41
_cell_angle_gamma   88.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PCl
_chemical_formula_sum   'Co2 P1 Cl1'
_cell_volume   53.18
_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  0.14  0.46  0.37  1.0
  Co  Co2  1  0.14  0.54  0.37  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.15  0.0  0.0  1.0

data_Co2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   88.67
_cell_angle_beta   77.59
_cell_angle_gamma   77.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PCl
_chemical_formula_sum   'Co2 P1 Cl1'
_cell_volume   53.18
_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  0.37  0.86  0.46  1.0
  Co  Co1  1  0.37  0.86  0.54  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.85  0.0  1.0

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