data_[Na2Tl2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5931]
_cell_length_b [5.6022]
_cell_length_c [10.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlPS4]
_chemical_formula_sum '[Na2 Tl2 P2 S8]'
_cell_volume [384.7971]
_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
[
  Na  Na0  2  0.2288  0.7500  0.5584  1.0
  Tl  Tl1  2  0.2941  0.7500  0.0665  1.0
  P  P2  2  0.1851  0.2500  0.2888  1.0
  S  S3  4  0.0330  0.0089  0.7907  1.0
  S  S4  2  0.2420  0.2500  0.4824  1.0
  S  S5  2  0.4434  0.2500  0.2160  1.0
]