data_[La6Nd2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9303]
_cell_length_b [6.7861]
_cell_length_c [6.4814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3NdRh]
_chemical_formula_sum '[La6 Nd2 Rh2]'
_cell_volume [348.8026]
_cell_formula_units_Z [2]
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  4  0.2490  0.3207  0.9253  1.0
  La  La1  2  0.0000  0.8518  0.9206  1.0
  Nd  Nd2  2  0.0000  0.1542  0.4339  1.0
  Rh  Rh3  2  0.0000  0.5042  0.1733  1.0
]