data_[Sr2Ta2Tl2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1338]
_cell_length_b [6.9649]
_cell_length_c [8.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTaTlS4]
_chemical_formula_sum '[Sr2 Ta2 Tl2 S8]'
_cell_volume [420.5654]
_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
[
  Sr  Sr0  2  0.2317  0.7500  0.5569  1.0
  Ta  Ta1  2  0.2233  0.2500  0.3164  1.0
  Tl  Tl2  2  0.2638  0.7500  0.0697  1.0
  S  S3  4  0.0138  0.5067  0.2724  1.0
  S  S4  2  0.4109  0.2500  0.5728  1.0
  S  S5  2  0.4174  0.2500  0.1518  1.0
]