data_[La1Hf2Ti1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8557]
_cell_length_b [4.8557]
_cell_length_c [5.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaHf2TiRh]
_chemical_formula_sum '[La1 Hf2 Ti1 Rh1]'
_cell_volume [125.8106]
_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  0.0000  0.0000  0.5000  1
  Hf  Hf1  2  0.0000  0.5000  0.0000  1
  Ti  Ti2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  1  0.5000  0.5000  0.5000  1
]