data_LiHfP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   138.47
_cell_angle_beta   138.47
_cell_angle_gamma   60.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfP2
_chemical_formula_sum   'Li1 Hf1 P2'
_cell_volume   61.08
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.84  0.25  1.0
  P  P2  1  0.84  0.0  0.25  1.0
  P  P3  1  0.0  0.0  0.5  1.0

data_LiHfP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   5.2
_cell_angle_alpha   110.76
_cell_angle_beta   110.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfP2
_chemical_formula_sum   'Li1 Hf1 P2'
_cell_volume   61.08
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.41  0.25  0.41  1.0
  P  P2  1  0.25  0.41  0.41  1.0
  P  P3  1  0.5  0.5  0.5  1.0

Li Hf P P