data_LaYHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYHf
_chemical_formula_sum   'La1 Y1 Hf1'
_cell_volume   88.65
_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  0.17  0.13  1.0
  Y  Y2  1  0.0  0.0  0.8  1.0
  Hf  Hf0  1  0.74  0.58  0.86  1.0

data_LaYHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYHf
_chemical_formula_sum   'La1 Y1 Hf1'
_cell_volume   88.65
_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  0.13  0.0  0.17  1.0
  Y  Y1  1  0.8  0.0  0.0  1.0
  Hf  Hf2  1  0.86  0.74  0.58  1.0

La Y Hf