data_YHf2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   146.59
_cell_angle_beta   128.81
_cell_angle_gamma   62.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Te
_chemical_formula_sum   'Y1 Hf2 Te1'
_cell_volume   98.6
_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  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.66  0.5  1.0
  Hf  Hf1  1  0.77  0.0  0.76  1.0
  Te  Te2  1  0.0  0.0  0.25  1.0

data_YHf2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.31
_cell_length_c   6.15
_cell_angle_alpha   115.6
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Te
_chemical_formula_sum   'Y1 Hf2 Te1'
_cell_volume   98.6
_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
  Hf  Hf1  1  0.0  0.76  0.99  1.0
  Hf  Hf2  1  0.34  0.84  0.84  1.0
  Te  Te3  1  0.0  0.25  0.25  1.0

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