data_[Li4Hf4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pnma]
_cell_length_a [12.5438]
_cell_length_b [4.0063]
_cell_length_c [11.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiHfCuTe3]
_chemical_formula_sum '[Li4 Hf4 Cu4 Te12]'
_cell_volume [594.7744]
_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
[
  Li  Li0  4  0.2226  0.2500  0.9473  1
  Hf  Hf1  4  0.0701  0.2500  0.6772  1
  Cu  Cu2  4  0.2495  0.2500  0.2764  1
  Te  Te3  4  0.0598  0.7500  0.8546  1
  Te  Te4  4  0.0837  0.2500  0.4165  1
  Te  Te5  4  0.2111  0.7500  0.1438  1
]