data_[Pr8Nd2Sm6]
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 [Pmn2_1]
_cell_length_a [12.0469]
_cell_length_b [7.3819]
_cell_length_c [6.4269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4NdSm3]
_chemical_formula_sum '[Pr8 Nd2 Sm6]'
_cell_volume [571.5420]
_cell_formula_units_Z [2]
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  0.2492  0.1267  0.3531  1.0
  Pr  Pr1  2  0.0000  0.1273  0.0173  1.0
  Pr  Pr2  2  0.0000  0.8730  0.5189  1.0
  Nd  Nd3  2  0.0000  0.6229  0.0209  1.0
  Sm  Sm4  4  0.2499  0.6228  0.3507  1.0
  Sm  Sm5  2  0.0000  0.3770  0.5199  1.0
]