data_[Ca2Pr4Nd12Sm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [C2/m]
_cell_length_a [6.3896]
_cell_length_b [11.0710]
_cell_length_c [12.1914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr2(Nd2Sm)3]
_chemical_formula_sum '[Ca2 Pr4 Nd12 Sm6]'
_cell_volume [849.1856]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.0000  0.3328  0.0000  1
  Nd  Nd2  8  0.2454  0.3310  0.7458  1
  Nd  Nd3  4  0.2477  0.5000  0.2549  1
  Sm  Sm4  4  0.0000  0.1660  0.5000  1
  Sm  Sm5  2  0.0000  0.5000  0.5000  1
]