data_[Rb2Hg3Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.2191]
_cell_length_b [5.4091]
_cell_length_c [9.0538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Rb2Hg3Bi]
_chemical_formula_sum '[Rb2 Hg3 Bi1]'
_cell_volume [255.5960]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5118  1.0
  Rb  Rb1  1  0.5000  0.0000  0.9882  1.0
  Hg  Hg2  1  0.0000  0.5000  0.1655  1.0
  Hg  Hg3  1  0.0000  0.5000  0.8282  1.0
  Hg  Hg4  1  0.5000  0.5000  0.3364  1.0
  Bi  Bi5  1  0.5000  0.5000  0.6698  1.0
]