data_[Rb2Nd4Pb6Se12]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0010]
_cell_length_b [4.2629]
_cell_length_c [9.4642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbNd2(PbSe2)3]
_chemical_formula_sum '[Rb2 Nd4 Pb6 Se12]'
_cell_volume [752.5715]
_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  2  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1682  0.0000  0.3341  1
  Pb  Pb2  4  0.1607  0.0000  0.8301  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0136  0.0000  0.2767  1
  Se  Se5  4  0.1686  0.5000  0.5599  1
  Se  Se6  4  0.1824  0.5000  0.1194  1
]