data_[Hf4Te4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4086]
_cell_length_b [3.7366]
_cell_length_c [6.5508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTeCl]
_chemical_formula_sum '[Hf4 Te4 Cl4]'
_cell_volume [361.2228]
_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  4  0.2443  0.5000  0.7864  1
  Te  Te1  4  0.1115  0.0000  0.8233  1
  Cl  Cl2  4  0.1649  0.5000  0.3588  1
]