data_[Ba6Pr2Nd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6270]
_cell_length_b [13.1966]
_cell_length_c [7.8701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Pr(NdSe3)2]
_chemical_formula_sum '[Ba6 Pr2 Nd4 Se12]'
_cell_volume [749.6375]
_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
[
  Ba  Ba0  4  0.0000  0.1662  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2420  0.1675  0.2235  1
  Se  Se5  4  0.2393  0.5000  0.2231  1
]