data_[Tm2Tl4Cr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.5781]
_cell_length_b [6.5781]
_cell_length_c [8.4282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [TmTl2CrF6]
_chemical_formula_sum '[Tm2 Tl4 Cr2 F12]'
_cell_volume [364.7026]
_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
[
  Tm  Tm0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.5000  0.2500  1
  Cr  Cr2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.2308  0.2308  0.0000  1
  F  F4  4  0.0000  0.0000  0.2562  1
]