data_[Rb4Au4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5009]
_cell_length_b [5.7410]
_cell_length_c [6.4774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbAuF3]
_chemical_formula_sum '[Rb4 Au4 F12]'
_cell_volume [461.9893]
_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
[
  Rb  Rb0  4  0.1981  0.5000  0.2337  1
  Au  Au1  2  0.0000  0.0000  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.1132  0.2303  0.5557  1
  F  F4  4  0.1603  0.0000  0.0803  1
]