data_[Ca2Pr8Nd4Sm4]
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 [19.2766]
_cell_length_b [3.6911]
_cell_length_c [9.0723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr4(NdSm)2]
_chemical_formula_sum '[Ca2 Pr8 Nd4 Sm4]'
_cell_volume [645.5184]
_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  1.0
  Pr  Pr1  4  0.0564  0.5000  0.6562  1.0
  Pr  Pr2  4  0.2210  0.0000  0.6707  1.0
  Nd  Nd3  4  0.1133  0.0000  0.3330  1.0
  Sm  Sm4  4  0.1709  0.5000  0.9993  1.0
]