data_[Mn4Tl6F18]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8907]
_cell_length_b [5.7503]
_cell_length_c [7.7280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Tl3F9]
_chemical_formula_sum '[Mn4 Tl6 F18]'
_cell_volume [481.0424]
_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  4  0.1654  0.5000  0.3493  1
  Tl  Tl1  4  0.1609  0.5000  0.8746  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.0858  0.2721  0.2094  1
  F  F4  4  0.1892  0.0000  0.7931  1
  F  F5  4  0.2500  0.2500  0.5000  1
  F  F6  2  0.0000  0.5000  0.5000  1
]