data_Hf2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.02
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PCl
_chemical_formula_sum   'Hf2 P1 Cl1'
_cell_volume   76.62
_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
  Hf  Hf1  1  0.66  0.01  0.0  1.0
  Hf  Hf2  1  0.0  0.01  0.87  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.66  0.0  0.87  1.0

data_Hf2PCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.32
_cell_length_b   4.02
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2PCl
_chemical_formula_sum   'Hf2 P1 Cl1'
_cell_volume   76.62
_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
  Hf  Hf0  1  -0.0  0.0  0.87  1.0
  Hf  Hf1  1  0.66  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.66  0.0  0.87  1.0

Hf Hf P Cl