data_[Hf4Tl4Cd4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.8950]
_cell_length_b [11.2960]
_cell_length_c [8.6143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HfTlCdF7]
_chemical_formula_sum '[Hf4 Tl4 Cd4 F28]'
_cell_volume [670.9314]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  4  0.0000  0.3075  0.2500  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.3092  0.7500  1.0
  F  F3  8  0.0000  0.2967  0.0172  1.0
  F  F4  8  0.1763  0.1541  0.2500  1.0
  F  F5  8  0.2076  0.1424  0.7500  1.0
  F  F6  4  0.0000  0.4879  0.2500  1.0
]