data_RePCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   123.96
_cell_angle_beta   123.96
_cell_angle_gamma   83.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePCl2
_chemical_formula_sum   'Re1 P1 Cl2'
_cell_volume   62.11
_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
  Re  Re3  1  0.14  0.0  0.7  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.4  1.0
  Cl  Cl1  1  0.0  0.14  0.7  1.0

data_RePCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.55
_cell_angle_alpha   118.02
_cell_angle_beta   118.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePCl2
_chemical_formula_sum   'Re1 P1 Cl2'
_cell_volume   62.11
_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
  Re  Re0  1  0.7  0.56  0.56  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.4  0.4  0.4  1.0
  Cl  Cl3  1  0.56  0.7  0.56  1.0

Re P Cl Cl