data_LaYHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   132.68
_cell_angle_beta   132.68
_cell_angle_gamma   69.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYHf2
_chemical_formula_sum   'La1 Y1 Hf2'
_cell_volume   108.65
_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  La2  1  0.0  0.0  0.85  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.37  0.43  1.0
  Hf  Hf1  1  0.37  0.0  0.43  1.0

data_LaYHf2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   124.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaYHf2
_chemical_formula_sum   'La2 Y2 Hf4'
_cell_volume   217.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.15  0.0  0.15  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Hf  Hf2  4  0.26  0.32  0.94  1.0

La Y Hf Hf