data_[Ga4Hg4S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6460]
_cell_length_b [13.9030]
_cell_length_c [5.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [GaHgS]
_chemical_formula_sum '[Ga4 Hg4 S4]'
_cell_volume [303.5532]
_cell_formula_units_Z [4]
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  4  0.0000  0.1869  0.0067  1.0
  Hg  Hg1  2  0.0000  0.0000  0.9664  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0116  1.0
  S  S3  4  0.0000  0.2147  0.4059  1.0
]