data_[Pr3Nd1Sm8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7310]
_cell_length_b [8.6400]
_cell_length_c [8.6421]
_cell_angle_alpha [103.2004]
_cell_angle_beta [109.2536]
_cell_angle_gamma [109.2363]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pr3NdSm8]
_chemical_formula_sum '[Pr3 Nd1 Sm8]'
_cell_volume [414.7318]
_cell_formula_units_Z [1]
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  1  0.0831  0.5292  0.4709  1
  Pr  Pr1  1  0.5843  0.3869  0.6146  1
  Pr  Pr2  1  0.5843  0.6463  0.3543  1
  Nd  Nd3  1  0.0802  0.1942  0.1338  1
  Sm  Sm4  1  0.0823  0.2702  0.7295  1
  Sm  Sm5  1  0.0837  0.9385  0.3957  1
  Sm  Sm6  1  0.0838  0.6061  0.0618  1
  Sm  Sm7  1  0.0872  0.8667  0.8048  1
  Sm  Sm8  1  0.5819  0.0521  0.2794  1
  Sm  Sm9  1  0.5828  0.9785  0.6879  1
  Sm  Sm10  1  0.5831  0.3113  0.0199  1
  Sm  Sm11  1  0.5833  0.7201  0.9474  1
]