data_[Tl4In8Ga4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5118]
_cell_length_b [17.3788]
_cell_length_c [16.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TlIn2GaHg5]
_chemical_formula_sum '[Tl4 In8 Ga4 Hg20]'
_cell_volume [998.4023]
_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
[
  Tl  Tl0  4  0.0000  0.4680  0.3934  1.0
  In  In1  4  0.0000  0.1240  0.3386  1.0
  In  In2  4  0.0000  0.1483  0.7147  1.0
  Ga  Ga3  4  0.0000  0.2264  0.0319  1.0
  Hg  Hg4  4  0.0000  0.0636  0.0555  1.0
  Hg  Hg5  4  0.0000  0.2907  0.3788  1.0
  Hg  Hg6  4  0.0000  0.3159  0.6840  1.0
  Hg  Hg7  4  0.0000  0.3863  0.0289  1.0
  Hg  Hg8  4  0.0000  0.4992  0.6983  1.0
]