data_[Rb1Sr1Hg2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2282]
_cell_length_b [5.2282]
_cell_length_c [9.4203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [RbSr(HgBi)2]
_chemical_formula_sum '[Rb1 Sr1 Hg2 Bi2]'
_cell_volume [222.9968]
_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  0.0000  1.0
  Sr  Sr1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.3333  0.6667  0.6662  1.0
  Bi  Bi3  2  0.3333  0.6667  0.2733  1.0
]