data_LiHfPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   135.19
_cell_angle_beta   135.19
_cell_angle_gamma   65.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfPt2
_chemical_formula_sum   'Li1 Hf1 Pt2'
_cell_volume   63.94
_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  0.93  0.14  1.0
  Pt  Pt2  1  0.93  0.0  0.14  1.0
  Pt  Pt3  1  0.0  0.0  0.27  1.0

data_LiHfPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.07
_cell_angle_alpha   112.4
_cell_angle_beta   112.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfPt2
_chemical_formula_sum   'Li1 Hf1 Pt2'
_cell_volume   63.94
_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  0.8  0.93  0.8  1.0
  Pt  Pt2  1  0.73  0.0  0.73  1.0
  Pt  Pt3  1  0.86  0.0  0.8  1.0

Li Hf Pt Pt