data_[Rb6Pd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4073]
_cell_length_b [6.4624]
_cell_length_c [11.6801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3PdF6]
_chemical_formula_sum '[Rb6 Pd2 F12]'
_cell_volume [404.8047]
_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  0.2431  0.5311  0.2497  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1584  0.2225  0.5244  1.0
  F  F4  4  0.1757  0.5234  0.7262  1.0
  F  F5  4  0.2999  0.6368  0.5216  1.0
]