data_[Rb12Au4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.7870]
_cell_length_b [13.6925]
_cell_length_c [9.3779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb3AuSe2]
_chemical_formula_sum '[Rb12 Au4 Se8]'
_cell_volume [999.9089]
_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  8  0.0000  0.2112  0.2500  1.0
  Rb  Rb1  4  0.0000  0.5000  0.2500  1.0
  Au  Au2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.2499  0.1147  0.0000  1.0
]