data_[Rb6Pa2Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [6.8808]
_cell_length_b [13.1279]
_cell_length_c [8.3587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Pa(AgSe3)2]
_chemical_formula_sum '[Rb6 Pa2 Ag4 Se12]'
_cell_volume [724.7683]
_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
[
  Rb  Rb0  4  0.0000  0.1775  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.0000  0.3521  0.0000  1
  Se  Se4  8  0.2429  0.1570  0.1854  1
  Se  Se5  4  0.2412  0.0000  0.7865  1
]