data_[U4Tl8Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9623]
_cell_length_b [18.2024]
_cell_length_c [14.0155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [UTl2GaS5]
_chemical_formula_sum '[U4 Tl8 Ga4 S20]'
_cell_volume [1010.8495]
_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
[
  U  U0  4  0.0000  0.2038  0.0284  1
  Tl  Tl1  4  0.0000  0.1107  0.6749  1
  Tl  Tl2  4  0.0000  0.1218  0.3304  1
  Ga  Ga3  4  0.0000  0.4358  0.4227  1
  S  S4  4  0.0000  0.0529  0.0211  1
  S  S5  4  0.0000  0.2957  0.6497  1
  S  S6  4  0.0000  0.3073  0.3972  1
  S  S7  4  0.0000  0.3382  0.0103  1
  S  S8  4  0.0000  0.4976  0.2893  1
]