data_[Hf4In4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5702]
_cell_length_b [4.0400]
_cell_length_c [8.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfInCuTe3]
_chemical_formula_sum '[Hf4 In4 Cu4 Te12]'
_cell_volume [657.4733]
_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  0.1608  0.0000  0.0910  1
  In  In1  4  0.1258  0.0000  0.5761  1
  Cu  Cu2  4  0.0497  0.5000  0.2067  1
  Te  Te3  4  0.1771  0.5000  0.8646  1
  Te  Te4  4  0.1861  0.5000  0.3240  1
  Te  Te5  2  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]