data_La2HfPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.42
_cell_angle_alpha   113.4
_cell_angle_beta   113.4
_cell_angle_gamma   32.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfPt
_chemical_formula_sum   'La2 Hf1 Pt1'
_cell_volume   109.26
_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
  La  La1  1  0.1  0.0  0.04  1.0
  La  La2  1  0.98  0.0  0.6  1.0
  Hf  Hf0  1  0.16  0.0  0.55  1.0
  Pt  Pt3  1  0.84  0.0  0.19  1.0

data_La2HfPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.42
_cell_length_c   6.4
_cell_angle_alpha   113.4
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfPt
_chemical_formula_sum   'La2 Hf1 Pt1'
_cell_volume   109.26
_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
  La  La0  1  0.0  0.04  0.1  1.0
  La  La1  1  0.0  0.6  0.98  1.0
  Hf  Hf2  1  0.0  0.55  0.16  1.0
  Pt  Pt3  1  0.0  0.19  0.84  1.0

La La Hf Pt