data_[Sr8Tl4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [3.9190]
_cell_length_b [18.7861]
_cell_length_c [11.9563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TlGaS5]
_chemical_formula_sum '[Sr8 Tl4 Ga4 S20]'
_cell_volume [880.2642]
_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
[
  Sr  Sr0  4  0.0000  0.1112  0.6772  1.0
  Sr  Sr1  4  0.0000  0.1151  0.2993  1.0
  Tl  Tl2  4  0.0000  0.2258  0.0244  1.0
  Ga  Ga3  4  0.0000  0.4401  0.4455  1.0
  S  S4  4  0.0000  0.0407  0.0503  1.0
  S  S5  4  0.0000  0.2820  0.6790  1.0
  S  S6  4  0.0000  0.3230  0.3794  1.0
  S  S7  4  0.0000  0.3605  0.9915  1.0
  S  S8  4  0.0000  0.4954  0.2774  1.0
]