data_[Ca2Pr12Nd4Y6]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4058]
_cell_length_b [11.0905]
_cell_length_c [12.0865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr6Nd2Y3]
_chemical_formula_sum '[Ca2 Pr12 Nd4 Y6]'
_cell_volume [845.4984]
_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  8  0.2449  0.3307  0.7449  1.0
  Pr  Pr2  4  0.2475  0.5000  0.2560  1.0
  Nd  Nd3  4  0.0000  0.3330  0.0000  1.0
  Y  Y4  4  0.0000  0.1661  0.5000  1.0
  Y  Y5  2  0.0000  0.5000  0.5000  1.0
]