data_[Ba4Pm2Np2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4838]
_cell_length_b [7.9375]
_cell_length_c [13.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2PmNpSe6]
_chemical_formula_sum '[Ba4 Pm2 Np2 Se12]'
_cell_volume [646.2605]
_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  0.2269  0.5754  0.7501  1
  Pm  Pm1  2  0.5000  0.0000  0.0000  1
  Np  Np2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.1365  0.7061  0.4502  1
  Se  Se4  4  0.2494  0.1910  0.4518  1
  Se  Se5  4  0.3359  0.5211  0.2423  1
]