data_[La4Pr12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0058]
_cell_length_b [9.4612]
_cell_length_c [5.9869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPr3Rh]
_chemical_formula_sum '[La4 Pr12 Rh4]'
_cell_volume [665.2914]
_cell_formula_units_Z [4]
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  0.1056  0.0000  0.7972  1
  Pr  Pr1  8  0.1351  0.2504  0.2697  1
  Pr  Pr2  4  0.1009  0.5000  0.7893  1
  Rh  Rh3  4  0.2485  0.0000  0.5081  1
]