data_[Ca6Pr9Nd18]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7149]
_cell_length_b [3.7149]
_cell_length_c [101.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2(PrNd2)3]
_chemical_formula_sum '[Ca6 Pr9 Nd18]'
_cell_volume [1208.2164]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4540  1
  Pr  Pr1  6  0.0000  0.0000  0.2735  1
  Pr  Pr2  3  0.0000  0.0000  0.0000  1
  Nd  Nd3  6  0.0000  0.0000  0.0890  1
  Nd  Nd4  6  0.0000  0.0000  0.1809  1
  Nd  Nd5  6  0.0000  0.0000  0.3631  1
]