data_Hf2CuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   144.02
_cell_angle_beta   129.57
_cell_angle_gamma   63.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuTe
_chemical_formula_sum   'Hf2 Cu1 Te1'
_cell_volume   78.9
_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  0.39  0.61  1.0
  Hf  Hf2  1  0.0  0.0  0.41  1.0
  Cu  Cu0  1  0.0  0.0  0.1  1.0
  Te  Te3  1  0.0  0.39  0.19  1.0

data_Hf2CuTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.78
_cell_length_c   5.61
_cell_angle_alpha   115.22
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuTe
_chemical_formula_sum   'Hf2 Cu1 Te1'
_cell_volume   78.9
_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  0.41  0.41  1.0
  Hf  Hf1  1  0.61  0.22  0.22  1.0
  Cu  Cu2  1  0.0  0.1  0.1  1.0
  Te  Te3  1  0.61  0.8  0.8  1.0

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