data_[Ga2Hg2Se2O2]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8019]
_cell_length_b [8.4269]
_cell_length_c [5.6092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [GaHgSeO]
_chemical_formula_sum '[Ga2 Hg2 Se2 O2]'
_cell_volume [179.7081]
_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  0.5000  0.1101  0.5522  1
  Hg  Hg1  2  0.0000  0.3004  0.1015  1
  Se  Se2  2  0.0000  0.2971  0.6060  1
  O  O3  2  0.5000  0.0684  0.2313  1
]