data_[Rb3Au3Se3]
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 [P1]
_cell_length_a [6.4141]
_cell_length_b [7.5880]
_cell_length_c [20.4249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.5486]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbAuSe]
_chemical_formula_sum '[Rb3 Au3 Se3]'
_cell_volume [994.0510]
_cell_formula_units_Z [3]
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  1  0.1419  0.6882  0.5774  1
  Rb  Rb1  1  0.3059  0.4869  0.3776  1
  Rb  Rb2  1  0.6016  0.1574  0.5714  1
  Au  Au3  1  0.0833  0.2539  0.5091  1
  Au  Au4  1  0.1157  0.2547  0.6432  1
  Au  Au5  1  0.9353  0.9050  0.4516  1
  Se  Se6  1  0.2818  0.0385  0.4382  1
  Se  Se7  1  0.6297  0.7236  0.4793  1
  Se  Se8  1  0.8108  0.4419  0.4523  1
]