data_[Na4Tl6Re2Se12]
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
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2858]
_cell_length_b [12.6833]
_cell_length_c [7.3210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl3ReSe6]
_chemical_formula_sum '[Na4 Tl6 Re2 Se12]'
_cell_volume [636.4716]
_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  4  0.0000  0.3313  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1565  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Re  Re3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2127  0.1390  0.2158  1.0
  Se  Se5  4  0.2188  0.0000  0.7909  1.0
]