data_YHfTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.14
_cell_angle_alpha   98.56
_cell_angle_beta   98.56
_cell_angle_gamma   38.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfTe2
_chemical_formula_sum   'Y1 Hf1 Te2'
_cell_volume   102.07
_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  Y3  1  0.92  0.0  0.13  1.0
  Hf  Hf0  1  0.18  0.0  0.23  1.0
  Te  Te1  1  0.91  0.0  0.65  1.0
  Te  Te2  1  0.9  0.0  0.68  1.0

data_YHfTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.14
_cell_length_c   5.7
_cell_angle_alpha   98.56
_cell_angle_beta   109.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfTe2
_chemical_formula_sum   'Y1 Hf1 Te2'
_cell_volume   102.07
_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  0.13  0.92  1.0
  Hf  Hf1  1  0.0  0.23  0.18  1.0
  Te  Te2  1  0.0  0.65  0.91  1.0
  Te  Te3  1  0.0  0.68  0.9  1.0

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