data_[La1Ru1Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9531]
_cell_length_b [4.5621]
_cell_length_c [5.3306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaRuRh2]
_chemical_formula_sum '[La1 Ru1 Rh2]'
_cell_volume [71.2967]
_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  0.3170  0.5000  0.7901  1
  Ru  Ru1  1  0.4531  0.0000  0.4150  1
  Rh  Rh2  1  0.8512  0.0000  0.9940  1
  Rh  Rh3  1  0.8788  0.5000  0.3009  1
]