data_[Mn2Tl2Pd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2258]
_cell_length_b [9.2802]
_cell_length_c [5.8213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnTlPdF6]
_chemical_formula_sum '[Mn2 Tl2 Pd2 F12]'
_cell_volume [335.9364]
_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
[
  Mn  Mn0  2  0.0000  0.6677  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0154  0.5000  1.0
  Pd  Pd2  2  0.0000  0.3357  0.0000  1.0
  F  F3  4  0.1010  0.7996  0.2145  1.0
  F  F4  4  0.1288  0.5081  0.1806  1.0
  F  F5  4  0.1787  0.1838  0.1608  1.0
]