data_[Sr4Tl6Sn2S12]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3287]
_cell_length_b [12.8212]
_cell_length_c [7.5243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl3SnS6]
_chemical_formula_sum '[Sr4 Tl6 Sn2 S12]'
_cell_volume [660.6239]
_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  0.3360  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1675  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2210  0.1454  0.2082  1.0
  S  S5  4  0.2219  0.0000  0.7782  1.0
]