data_[Ho2Tl2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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]
_cell_length_a [5.9512]
_cell_length_b [9.7237]
_cell_length_c [5.9557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HoTlCuF6]
_chemical_formula_sum '[Ho2 Tl2 Cu2 F12]'
_cell_volume [344.4560]
_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
[
  Ho  Ho0  2  0.0000  0.3252  0.0000  1.0
  Tl  Tl1  2  0.0000  0.9963  0.5000  1.0
  Cu  Cu2  2  0.0000  0.6638  0.0000  1.0
  F  F3  4  0.1262  0.5144  0.1811  1.0
  F  F4  4  0.1661  0.1913  0.2324  1.0
  F  F5  4  0.1752  0.8018  0.1662  1.0
]