data_[Rb12Hg3As6]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0935]
_cell_length_b [6.0935]
_cell_length_c [28.8923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4HgAs2]
_chemical_formula_sum '[Rb12 Hg3 As6]'
_cell_volume [929.0768]
_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  6  0.0000  0.0000  0.2078  1.0
  Rb  Rb1  6  0.0000  0.0000  0.3867  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  As  As3  6  0.0000  0.0000  0.0876  1.0
]