data_[Rb1Ga2Hg1B1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3717]
_cell_length_b [6.3717]
_cell_length_c [6.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [RbGa2HgB]
_chemical_formula_sum '[Rb1 Ga2 Hg1 B1]'
_cell_volume [260.0209]
_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
  Ga  Ga1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  1  0.0000  0.0000  0.5000  1
  B  B3  1  0.5000  0.5000  0.5000  1
]