data_La2HfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   149.12
_cell_angle_beta   142.41
_cell_angle_gamma   49.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfSi
_chemical_formula_sum   'La2 Hf1 Si1'
_cell_volume   102.38
_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  0.0  0.22  0.79  1.0
  La  La2  1  0.84  0.0  0.48  1.0
  Hf  Hf0  1  0.0  0.0  0.27  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_La2HfSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.45
_cell_length_c   6.9
_cell_angle_alpha   108.8
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfSi
_chemical_formula_sum   'La2 Hf1 Si1'
_cell_volume   102.38
_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  0.21  0.44  0.44  1.0
  La  La1  1  0.36  0.52  0.36  1.0
  Hf  Hf2  1  0.73  0.73  0.73  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

La La Hf Si