data_[Nb4Tl4Re4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3260]
_cell_length_b [7.4603]
_cell_length_c [10.4855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NbTlReO6]
_chemical_formula_sum '[Nb4 Tl4 Re4 O24]'
_cell_volume [573.0783]
_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
[
  Nb  Nb0  4  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.2500  0.1295  1.0
  Re  Re2  4  0.2500  0.2500  0.7500  1.0
  O  O3  16  0.1965  0.0686  0.6255  1.0
  O  O4  4  0.0000  0.2500  0.4340  1.0
  O  O5  4  0.0000  0.2500  0.8006  1.0
]