data_[Rb4Bi16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4206]
_cell_length_b [7.3379]
_cell_length_c [8.0585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbBi4Au]
_chemical_formula_sum '[Rb4 Bi16 Au4]'
_cell_volume [903.7395]
_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  0.2061  0.0000  0.8488  1.0
  Bi  Bi1  8  0.0775  0.2189  0.3905  1.0
  Bi  Bi2  4  0.0000  0.2651  0.0000  1.0
  Bi  Bi3  4  0.2126  0.5000  0.5815  1.0
  Au  Au4  4  0.1123  0.5000  0.8398  1.0
]