data_[Ba2Mn2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/c]
_cell_length_a [6.6646]
_cell_length_b [6.4132]
_cell_length_c [11.3061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaMnTl2F6]
_chemical_formula_sum '[Ba2 Mn2 Tl4 F12]'
_cell_volume [393.9682]
_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
[
  Ba  Ba0  2  0.5000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2288  0.0291  0.2363  1.0
  F  F3  4  0.1346  0.2174  0.9613  1.0
  F  F4  4  0.1977  0.6932  0.9421  1.0
  F  F5  4  0.3140  0.0101  0.7242  1.0
]