data_Hf2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   136.61
_cell_angle_beta   124.15
_cell_angle_gamma   73.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeTe
_chemical_formula_sum   'Hf2 Fe1 Te1'
_cell_volume   75.19
_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  0.9  0.0  0.87  1.0
  Hf  Hf2  1  0.0  0.4  0.25  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.12  1.0

data_Hf2FeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.81
_cell_length_c   5.13
_cell_angle_alpha   117.93
_cell_angle_beta   111.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeTe
_chemical_formula_sum   'Hf2 Fe1 Te1'
_cell_volume   75.19
_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  0.87  0.97  1.0
  Hf  Hf1  1  0.6  0.85  0.85  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.12  0.12  1.0

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