data_[Li2Pa2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1/m]
_cell_length_a [8.6920]
_cell_length_b [3.9327]
_cell_length_c [8.8273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPaAgSe3]
_chemical_formula_sum '[Li2 Pa2 Ag2 Se6]'
_cell_volume [291.0326]
_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
[
  Li  Li0  2  0.4004  0.2500  0.8914  1
  Pa  Pa1  2  0.2117  0.7500  0.1831  1
  Ag  Ag2  2  0.2209  0.7500  0.5931  1
  Se  Se3  2  0.1133  0.2500  0.3775  1
  Se  Se4  2  0.1337  0.2500  0.9321  1
  Se  Se5  2  0.4835  0.2500  0.2199  1
]