data_[La1Ir2Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9302]
_cell_length_b [4.5519]
_cell_length_c [5.4927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaIr2Rh]
_chemical_formula_sum '[La1 Ir2 Rh1]'
_cell_volume [72.3403]
_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  0.5558  0.0000  0.5432  1
  Ir  Ir1  1  0.1402  0.0000  0.0521  1
  Ir  Ir2  1  0.7165  0.5000  0.1596  1
  Rh  Rh3  1  0.0874  0.5000  0.7451  1
]