data_[Ba4Hf2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9148]
_cell_length_b [7.8407]
_cell_length_c [9.8051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2HfTe4]
_chemical_formula_sum '[Ba4 Hf2 Te8]'
_cell_volume [577.9212]
_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
[
  Ba  Ba0  2  0.2384  0.7500  0.4313  1.0
  Ba  Ba1  2  0.2824  0.7500  0.9508  1.0
  Hf  Hf2  2  0.2736  0.2500  0.1989  1.0
  Te  Te3  4  0.4880  0.0118  0.7359  1.0
  Te  Te4  2  0.0731  0.2500  0.3790  1.0
  Te  Te5  2  0.0937  0.2500  0.9137  1.0
]