data_[Pr4Sm4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7228]
_cell_length_b [3.8556]
_cell_length_c [8.4563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSmRh]
_chemical_formula_sum '[Pr4 Sm4 Rh4]'
_cell_volume [337.8583]
_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
[
  Pr  Pr0  4  0.1697  0.0000  0.0826  1.0
  Sm  Sm1  4  0.0826  0.5000  0.3934  1.0
  Rh  Rh2  4  0.1216  0.0000  0.7003  1.0
]