data_[Rb4Nd4Pa2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4628]
_cell_length_b [12.8418]
_cell_length_c [8.5798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Nd2PaSe6]
_chemical_formula_sum '[Rb4 Nd4 Pa2 Se12]'
_cell_volume [785.6512]
_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
[
  Rb  Rb0  4  0.0000  0.1695  0.0000  1
  Nd  Nd1  4  0.0000  0.3337  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2268  0.1613  0.6948  1
  Se  Se4  4  0.2461  0.5000  0.6942  1
]