data_[Hf4Te4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9287]
_cell_length_b [7.4786]
_cell_length_c [7.4871]
_cell_angle_alpha [77.6994]
_cell_angle_beta [67.1867]
_cell_angle_gamma [73.7275]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HfTeAs]
_chemical_formula_sum '[Hf4 Te4 As4]'
_cell_volume [291.6838]
_cell_formula_units_Z [4]
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  0.1297  0.5081  0.9957  1
  Hf  Hf1  1  0.3799  0.5345  0.4535  1
  Hf  Hf2  1  0.6203  0.9310  0.4907  1
  Hf  Hf3  1  0.8754  0.0455  0.0257  1
  Te  Te4  1  0.0671  0.8694  0.6638  1
  Te  Te5  1  0.4212  0.1097  0.8636  1
  Te  Te6  1  0.8781  0.2553  0.3293  1
  Te  Te7  1  0.9403  0.3870  0.7524  1
  As  As8  1  0.0870  0.7455  0.2378  1
  As  As9  1  0.4221  0.2485  0.2660  1
  As  As10  1  0.5288  0.6175  0.7317  1
  As  As11  1  0.6573  0.7481  0.1822  1
]