data_[Ac2Tl2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [P2_1/m]
_cell_length_a [7.1517]
_cell_length_b [6.9466]
_cell_length_c [8.8696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcTlSnS4]
_chemical_formula_sum '[Ac2 Tl2 Sn2 S8]'
_cell_volume [422.8240]
_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
[
  Ac  Ac0  2  0.2332  0.2500  0.5611  1
  Tl  Tl1  2  0.2713  0.2500  0.0716  1
  Sn  Sn2  2  0.2274  0.7500  0.3104  1
  S  S3  4  0.0008  0.0138  0.2780  1
  S  S4  2  0.4261  0.7500  0.5820  1
  S  S5  2  0.4338  0.7500  0.1418  1
]