data_HfCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuTe2
_chemical_formula_sum   'Hf1 Cu1 Te2'
_cell_volume   84.88
_cell_formula_units_Z   1
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  Hf1  1  0.0  0.0  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.44  0.0  0.04  1.0
  Te  Te3  1  0.44  0.0  0.71  1.0

data_HfCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuTe2
_chemical_formula_sum   'Hf1 Cu1 Te2'
_cell_volume   84.88
_cell_formula_units_Z   1
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  1  0.0  0.0  0.38  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.44  0.0  0.04  1.0
  Te  Te3  1  0.44  0.0  0.71  1.0

Hf Cu Te Te
Hf Cu Te Te 0 2 - o o 0 2 o o o 0 3 - o o 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o - 1 3 - o - 2 3 o o - 