data_[Ta4Tl8Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [3.6379]
_cell_length_b [17.9452]
_cell_length_c [14.3105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TaTl2GaS5]
_chemical_formula_sum '[Ta4 Tl8 Ga4 S20]'
_cell_volume [934.2303]
_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
[
  Ta  Ta0  4  0.0000  0.2193  0.0247  1.0
  Tl  Tl1  4  0.0000  0.0987  0.6788  1.0
  Tl  Tl2  4  0.0000  0.1304  0.3155  1.0
  Ga  Ga3  4  0.0000  0.4389  0.4337  1.0
  S  S4  4  0.0000  0.0588  0.0334  1.0
  S  S5  4  0.0000  0.2895  0.6380  1.0
  S  S6  4  0.0000  0.3083  0.4031  1.0
  S  S7  4  0.0000  0.3420  0.9989  1.0
  S  S8  4  0.0000  0.4988  0.2978  1.0
]