data_Y2HfTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   136.16
_cell_angle_beta   136.16
_cell_angle_gamma   63.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfTe
_chemical_formula_sum   'Y2 Hf1 Te1'
_cell_volume   105.89
_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
  Y  Y2  1  0.0  0.27  0.58  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.27  0.0  0.58  1.0
  Te  Te1  1  0.0  0.0  0.15  1.0

data_Y2HfTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   6.07
_cell_angle_alpha   111.92
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfTe
_chemical_formula_sum   'Y2 Hf1 Te1'
_cell_volume   105.89
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.31  0.58  0.31  1.0
  Hf  Hf2  1  0.58  0.31  0.31  1.0
  Te  Te3  1  0.15  0.15  0.15  1.0

Y Y Hf Te
Y Y Hf Te 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 