data_[Yb2Hg1B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Hg  2.0000  1.5000  1.2450
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1206]
_cell_length_b [5.5471]
_cell_length_c [6.1199]
_cell_angle_alpha [112.5672]
_cell_angle_beta [103.8543]
_cell_angle_gamma [105.5899]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Yb2Hg(BO3)2]
_chemical_formula_sum '[Yb2 Hg1 B2 O6]'
_cell_volume [142.6860]
_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
[
  Yb  Yb0  2  0.2245  0.5965  0.8289  1.0
  Hg  Hg1  1  0.5000  0.0000  0.5000  1.0
  B  B2  2  0.2435  0.2642  0.2437  1.0
  O  O3  2  0.1074  0.2862  0.4106  1.0
  O  O4  2  0.2545  0.4185  0.1125  1.0
  O  O5  2  0.3931  0.0766  0.1938  1.0
]