data_[Mn4Tl2Cu2F16]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1578]
_cell_length_b [7.1090]
_cell_length_c [6.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2TlCuF8]
_chemical_formula_sum '[Mn4 Tl2 Cu2 F16]'
_cell_volume [349.3438]
_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  0.0055  0.5000  0.7630  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0000  0.2988  0.0000  1.0
  F  F4  4  0.0000  0.3224  0.5000  1.0
  F  F5  4  0.1959  0.0000  0.2288  1.0
  F  F6  4  0.2114  0.0000  0.7566  1.0
]