data_[Hf1Sc1Te4]
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/m]
_cell_length_a [6.8415]
_cell_length_b [3.9543]
_cell_length_c [6.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfScTe4]
_chemical_formula_sum '[Hf1 Sc1 Te4]'
_cell_volume [188.3342]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.5000  0.5000  1.0
  Te  Te2  2  0.2577  0.0000  0.3301  1.0
  Te  Te3  2  0.2591  0.5000  0.8373  1.0
]