data_[Hf2Sc2Te8]
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 [P2_1/m]
_cell_length_a [13.7364]
_cell_length_b [3.8709]
_cell_length_c [18.7246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfScTe4]
_chemical_formula_sum '[Hf2 Sc2 Te8]'
_cell_volume [995.6120]
_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  2  0.3713  0.2500  0.4978  1
  Sc  Sc1  2  0.1226  0.7500  0.4983  1
  Te  Te2  2  0.0426  0.2500  0.5987  1
  Te  Te3  2  0.2124  0.2500  0.4005  1
  Te  Te4  2  0.2943  0.7500  0.5958  1
  Te  Te5  2  0.4619  0.7500  0.4038  1
]