data_[La6Fe3P9Rh36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4638]
_cell_length_b [8.4638]
_cell_length_c [15.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Fe(PRh4)3]
_chemical_formula_sum '[La6 Fe3 P9 Rh36]'
_cell_volume [946.8100]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3902  1
  Fe  Fe1  3  0.0000  0.0000  0.0000  1
  P  P2  9  0.0000  0.5000  0.5000  1
  Rh  Rh3  18  0.0031  0.5015  0.3557  1
  Rh  Rh4  18  0.0556  0.5278  0.8579  1
]