data_YHfMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.99
_cell_angle_alpha   93.08
_cell_angle_beta   93.08
_cell_angle_gamma   35.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfMo2
_chemical_formula_sum   'Y1 Hf1 Mo2'
_cell_volume   80.29
_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  0.43  0.0  0.99  1.0
  Mo  Mo1  1  0.86  0.0  0.62  1.0
  Mo  Mo2  1  0.01  0.0  0.37  1.0

data_YHfMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.83
_cell_length_c   5.99
_cell_angle_alpha   93.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfMo2
_chemical_formula_sum   'Y1 Hf1 Mo2'
_cell_volume   80.29
_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  0.57  0.01  1.0
  Mo  Mo2  1  0.0  0.14  0.38  1.0
  Mo  Mo3  1  0.0  0.99  0.63  1.0

Y Hf Mo Mo