data_[Rb14Hg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4453]
_cell_length_b [14.0112]
_cell_length_c [8.9285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Rb7(HgAu)2]
_chemical_formula_sum '[Rb14 Hg4 Au4]'
_cell_volume [1181.5958]
_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  8  0.2500  0.2500  0.2675  1.0
  Rb  Rb1  4  0.0000  0.5000  0.2506  1.0
  Rb  Rb2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.1575  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3084  0.0000  1.0
]