data_[Ce4Sm4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9387]
_cell_length_b [3.8543]
_cell_length_c [8.3182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeSmRh]
_chemical_formula_sum '[Ce4 Sm4 Rh4]'
_cell_volume [312.4141]
_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
[
  Ce  Ce0  2  0.1559  0.5000  0.4153  1.0
  Ce  Ce1  2  0.2459  0.0000  0.1255  1.0
  Sm  Sm2  2  0.4055  0.0000  0.8585  1.0
  Sm  Sm3  2  0.4940  0.5000  0.5751  1.0
  Rh  Rh4  2  0.1907  0.5000  0.8539  1.0
  Rh  Rh5  2  0.4846  0.5000  0.1850  1.0
]