data_[Pa2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5416]
_cell_length_b [3.8454]
_cell_length_c [10.2188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaPbSe3]
_chemical_formula_sum '[Pa2 Pb2 Se6]'
_cell_volume [326.9895]
_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
[
  Pa  Pa0  2  0.3444  0.2500  0.8168  1
  Pb  Pb1  2  0.2329  0.7500  0.4691  1
  Se  Se2  2  0.0959  0.7500  0.7011  1
  Se  Se3  2  0.3284  0.7500  0.0185  1
  Se  Se4  2  0.4893  0.2500  0.3109  1
]