data_[Hf4Cu4Te14]
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 [7.5237]
_cell_length_b [12.8155]
_cell_length_c [7.1660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Cu2Te7]
_chemical_formula_sum '[Hf4 Cu4 Te14]'
_cell_volume [675.9914]
_cell_formula_units_Z [2]
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  0.0000  0.3067  0.0000  1
  Cu  Cu1  4  0.1685  0.5000  0.6157  1
  Te  Te2  8  0.2445  0.3090  0.7414  1
  Te  Te3  4  0.1356  0.5000  0.2286  1
  Te  Te4  2  0.0000  0.0000  0.5000  1
]