data_[Ba4Pm2Pa2Se12]
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
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5190]
_cell_length_b [7.9738]
_cell_length_c [13.2542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2PmPaSe6]
_chemical_formula_sum '[Ba4 Pm2 Pa2 Se12]'
_cell_volume [654.4592]
_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  0.2253  0.5760  0.7496  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Pa  Pa2  2  0.5000  0.0000  0.0000  1
  Se  Se3  4  0.1515  0.6921  0.4501  1
  Se  Se4  4  0.2603  0.2058  0.4479  1
  Se  Se5  4  0.3541  0.5237  0.2565  1
]