data_[Ga2Cu2Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.3892]
_cell_length_b [6.3892]
_cell_length_c [12.5654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [GaCu(HgTe2)2]
_chemical_formula_sum '[Ga2 Cu2 Hg4 Te8]'
_cell_volume [512.9463]
_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  0.5000  0.7500  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.2500  1.0
  Te  Te4  8  0.2173  0.2447  0.6213  1.0
]