data_[Na2Tl2Mo2S8]
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 [P2_1/m]
_cell_length_a [6.8569]
_cell_length_b [6.9203]
_cell_length_c [8.7031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlMoS4]
_chemical_formula_sum '[Na2 Tl2 Mo2 S8]'
_cell_volume [393.7814]
_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  0.2312  0.2500  0.5463  1.0
  Tl  Tl1  2  0.2573  0.2500  0.0626  1.0
  Mo  Mo2  2  0.2189  0.7500  0.3175  1.0
  S  S3  4  0.0133  0.0040  0.2603  1.0
  S  S4  2  0.3934  0.7500  0.5725  1.0
  S  S5  2  0.4187  0.7500  0.1609  1.0
]