data_YHf2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   145.59
_cell_angle_beta   131.48
_cell_angle_gamma   60.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Mo
_chemical_formula_sum   'Y1 Hf2 Mo1'
_cell_volume   89.1
_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  0.43  1.0
  Hf  Hf0  1  0.0  0.45  0.14  1.0
  Hf  Hf1  1  0.0  0.0  0.01  1.0
  Mo  Mo2  1  0.77  0.0  0.0  1.0

data_YHf2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.9
_cell_length_c   5.97
_cell_angle_alpha   114.26
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Mo
_chemical_formula_sum   'Y1 Hf2 Mo1'
_cell_volume   89.1
_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  0.43  0.43  1.0
  Hf  Hf1  1  0.0  0.01  0.01  1.0
  Hf  Hf2  1  0.55  0.69  0.69  1.0
  Mo  Mo3  1  0.0  0.0  0.24  1.0

Y Hf Hf Mo