data_[La4Pr4Sm4]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3073]
_cell_length_b [3.6964]
_cell_length_c [10.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPrSm]
_chemical_formula_sum '[La4 Pr4 Sm4]'
_cell_volume [429.8536]
_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  0.1675  0.0000  0.0848  1
  Pr  Pr1  4  0.0009  0.5000  0.2541  1
  Sm  Sm2  4  0.1675  0.0000  0.5814  1
]