data_[Ba4Pa4Ag4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pa  1.5000  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.2953]
_cell_length_b [8.6535]
_cell_length_c [13.5126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaPaAgSe4]
_chemical_formula_sum '[Ba4 Pa4 Ag4 Se16]'
_cell_volume [969.9732]
_cell_formula_units_Z [4]
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  0.2500  0.1671  1
  Pa  Pa1  4  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.2500  0.2500  0.7500  1
  Se  Se3  8  0.0000  0.0458  0.7018  1
  Se  Se4  8  0.2187  0.2500  0.4903  1
]