data_[Sr4Ta2Tl6S12]
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 [C2/m]
_cell_length_a [7.2048]
_cell_length_b [12.3942]
_cell_length_c [7.6276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ta(TlS2)3]
_chemical_formula_sum '[Sr4 Ta2 Tl6 S12]'
_cell_volume [648.7467]
_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  4  0.0000  0.3335  0.0000  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1661  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2073  0.1407  0.1970  1
  S  S5  4  0.2143  0.0000  0.7912  1
]