data_[Na2Tl2Cr2O8]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9767]
_cell_length_b [6.0102]
_cell_length_c [7.2346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlCrO4]
_chemical_formula_sum '[Na2 Tl2 Cr2 O8]'
_cell_volume [249.8112]
_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  0.2020  0.2500  0.5500  1.0
  Tl  Tl1  2  0.2831  0.2500  0.0805  1.0
  Cr  Cr2  2  0.2602  0.7500  0.3396  1.0
  O  O3  4  0.0867  0.5253  0.2998  1.0
  O  O4  2  0.4249  0.7500  0.5651  1.0
  O  O5  2  0.4323  0.7500  0.1926  1.0
]