data_[Hf4Cu8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [20.4360]
_cell_length_b [4.0801]
_cell_length_c [7.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfCu2Te3]
_chemical_formula_sum '[Hf4 Cu8 Te12]'
_cell_volume [604.1295]
_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  0.1460  0.5000  0.0545  1.0
  Cu  Cu1  4  0.0488  0.0000  0.1494  1.0
  Cu  Cu2  4  0.2134  0.5000  0.4258  1.0
  Te  Te3  4  0.0814  0.0000  0.8201  1.0
  Te  Te4  4  0.0836  0.5000  0.3648  1.0
  Te  Te5  4  0.2494  0.0000  0.2145  1.0
]