data_[Hf4Tl8Ga4Te20]
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
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0207]
_cell_length_b [20.2905]
_cell_length_c [14.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfTl2GaTe5]
_chemical_formula_sum '[Hf4 Tl8 Ga4 Te20]'
_cell_volume [1222.3356]
_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  0.2055  0.0315  1
  Tl  Tl1  4  0.0000  0.1251  0.6739  1
  Tl  Tl2  4  0.0000  0.1262  0.3285  1
  Ga  Ga3  4  0.0000  0.4337  0.4211  1
  Te  Te4  4  0.0000  0.0545  0.0365  1
  Te  Te5  4  0.0000  0.2926  0.6667  1
  Te  Te6  4  0.0000  0.3036  0.3875  1
  Te  Te7  4  0.0000  0.3428  0.0051  1
  Te  Te8  4  0.0000  0.4991  0.7731  1
]