data_[Mn2Tl4In2F12]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1000]
_cell_length_b [6.0712]
_cell_length_c [10.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnTl2InF6]
_chemical_formula_sum '[Mn2 Tl4 In2 F12]'
_cell_volume [319.5309]
_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  0.0000  0.5000  1
  Tl  Tl1  4  0.2487  0.5126  0.7499  1
  In  In2  2  0.5000  0.0000  0.0000  1
  F  F3  4  0.1939  0.7419  0.4830  1
  F  F4  4  0.2376  0.2122  0.4811  1
  F  F5  4  0.2702  0.5022  0.2345  1
]