data_[Ga2Hg6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.2030]
_cell_length_b [6.3220]
_cell_length_c [5.9338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GaHg3O4]
_chemical_formula_sum '[Ga2 Hg6 O8]'
_cell_volume [270.2115]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  2  0.0000  0.1740  0.0009  1.0
  Hg  Hg1  4  0.2452  0.6704  0.0017  1.0
  Hg  Hg2  2  0.0000  0.8404  0.5052  1.0
  O  O3  4  0.2158  0.3155  0.1058  1.0
  O  O4  2  0.0000  0.1756  0.6830  1.0
  O  O5  2  0.0000  0.8938  0.1111  1.0
]