data_[Hf4Sc2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2695]
_cell_length_b [3.9418]
_cell_length_c [7.1300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2ScTe4]
_chemical_formula_sum '[Hf4 Sc2 Te8]'
_cell_volume [382.5310]
_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  0.2496  0.5000  0.7000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1066  0.0000  0.4535  1
  Te  Te3  4  0.1370  0.5000  0.9668  1
]