data_[Na8Tl4Mo4S16]
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
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.1616]
_cell_length_b [10.4676]
_cell_length_c [8.1603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Na2TlMoS4]
_chemical_formula_sum '[Na8 Tl4 Mo4 S16]'
_cell_volume [867.9900]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2346  1
  Tl  Tl1  4  0.0000  0.0000  0.0002  1
  Mo  Mo2  4  0.0000  0.0000  0.5041  1
  S  S3  8  0.0000  0.1758  0.3456  1
  S  S4  8  0.1778  0.0000  0.6679  1
]