data_[Mn4Tl2Zn2F16]
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
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1102]
_cell_length_b [7.1956]
_cell_length_c [6.8651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mn2TlZnF8]
_chemical_formula_sum '[Mn4 Tl2 Zn2 F16]'
_cell_volume [351.2289]
_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  0.0000  0.5000  0.2364  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.2025  0.0000  0.2159  1.0
  F  F4  4  0.0000  0.2989  0.0000  1.0
  F  F5  4  0.0000  0.3275  0.5000  1.0
]