data_[Ga4Hg2Se6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8650]
_cell_length_b [3.8672]
_cell_length_c [10.9809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ga2HgSe3]
_chemical_formula_sum '[Ga4 Hg2 Se6]'
_cell_volume [411.6532]
_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  0.0464  0.7500  0.3943  1.0
  Ga  Ga1  2  0.1113  0.7500  0.0899  1.0
  Hg  Hg2  2  0.4863  0.7500  0.8612  1.0
  Se  Se3  2  0.1177  0.7500  0.6271  1.0
  Se  Se4  2  0.1484  0.2500  0.9541  1.0
  Se  Se5  2  0.2384  0.7500  0.2943  1.0
]