data_LaHfFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfFe2
_chemical_formula_sum   'La1 Hf1 Fe2'
_cell_volume   71.46
_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  La3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.42  1.0
  Fe  Fe0  1  0.26  0.0  0.97  1.0
  Fe  Fe1  1  0.26  0.0  0.87  1.0

data_LaHfFe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaHfFe2
_chemical_formula_sum   'La1 Hf1 Fe2'
_cell_volume   71.47
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.42  1.0
  Fe  Fe2  1  0.26  0.0  0.87  1.0
  Fe  Fe3  1  0.26  0.0  0.97  1.0

La Hf Fe Fe