data_[Hf4Ga2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5123]
_cell_length_b [3.9793]
_cell_length_c [6.9012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2GaTe4]
_chemical_formula_sum '[Hf4 Ga2 Te8]'
_cell_volume [443.2294]
_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
[
  Hf  Hf0  4  0.2485  0.5000  0.7404  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1376  0.0000  0.4733  1
  Te  Te3  4  0.1419  0.5000  0.9762  1
]