data_[Ca2Pr4Nd6As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6738]
_cell_length_b [4.2731]
_cell_length_c [8.6055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr2(NdAs2)3]
_chemical_formula_sum '[Ca2 Pr4 Nd6 As12]'
_cell_volume [668.4539]
_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  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1657  0.0000  0.3306  1.0
  Nd  Nd2  4  0.1662  0.0000  0.8350  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  As  As4  4  0.0006  0.0000  0.7467  1.0
  As  As5  4  0.1668  0.5000  0.5842  1.0
  As  As6  4  0.1678  0.5000  0.0829  1.0
]