data_[Na4Mn4Tl8F20]
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 [Cmc2_1]
_cell_length_a [3.4804]
_cell_length_b [14.1247]
_cell_length_c [13.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaMnTl2F5]
_chemical_formula_sum '[Na4 Mn4 Tl8 F20]'
_cell_volume [643.2271]
_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
[
  Na  Na0  4  0.0000  0.4824  0.4507  1.0
  Mn  Mn1  4  0.0000  0.2108  0.0261  1.0
  Tl  Tl2  4  0.0000  0.0783  0.6741  1.0
  Tl  Tl3  4  0.0000  0.1649  0.3027  1.0
  F  F4  4  0.0000  0.0607  0.0455  1.0
  F  F5  4  0.0000  0.2735  0.6282  1.0
  F  F6  4  0.0000  0.3181  0.4258  1.0
  F  F7  4  0.0000  0.3550  0.9850  1.0
  F  F8  4  0.0000  0.4822  0.7859  1.0
]