data_PmCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmCl3
_chemical_formula_sum   'Pm2 Cl6'
_cell_volume   188.89
_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
  Pm  Pm6  1  0.53  0.04  0.28  1.0
  Pm  Pm7  1  0.0  0.08  0.09  1.0
  Cl  Cl0  1  0.11  0.13  0.09  1.0
  Cl  Cl1  1  0.96  0.13  0.09  1.0
  Cl  Cl2  1  0.53  0.86  0.09  1.0
  Cl  Cl3  1  0.43  0.99  0.28  1.0
  Cl  Cl4  1  0.57  0.99  0.28  1.0
  Cl  Cl5  1  0.0  0.26  0.28  1.0

data_PmCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.37
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PmCl3
_chemical_formula_sum   'Pm2 Cl6'
_cell_volume   188.89
_cell_formula_units_Z   2
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
  Pm  Pm0  2  0.09  0.27  0.98  1.0
  Cl  Cl1  2  0.09  0.16  0.93  1.0
  Cl  Cl2  2  0.09  0.31  0.93  1.0
  Cl  Cl3  2  0.09  0.73  0.2  1.0

Pm Pm Cl Cl Cl Cl Cl Cl
Pm Pm Cl Cl Cl Cl Cl Cl 0 5 o - o 0 6 o - o 1 3 - o o 1 2 o o o 3 7 + o o 4 6 o o o 