data_[Na4Mn2Tl2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3542]
_cell_length_b [7.0329]
_cell_length_c [6.8633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2MnTlF8]
_chemical_formula_sum '[Na4 Mn2 Tl2 F16]'
_cell_volume [354.8037]
_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  0.0012  0.5000  0.2619  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0000  0.2640  0.5000  1.0
  F  F4  4  0.0000  0.2988  0.0000  1.0
  F  F5  4  0.1777  0.0000  0.7212  1.0
  F  F6  4  0.1859  0.0000  0.2636  1.0
]