data_[Ga8Hg4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [26.9700]
_cell_length_b [4.2232]
_cell_length_c [7.7479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2HgTe3]
_chemical_formula_sum '[Ga8 Hg4 Te12]'
_cell_volume [858.6594]
_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  0.0542  0.0000  0.9467  1.0
  Ga  Ga1  4  0.1993  0.5000  0.0092  1.0
  Hg  Hg2  4  0.1432  0.5000  0.3940  1.0
  Te  Te3  4  0.0380  0.0000  0.2663  1.0
  Te  Te4  4  0.1027  0.5000  0.8310  1.0
  Te  Te5  4  0.2353  0.0000  0.2182  1.0
]