data_YAl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   139.76
_cell_angle_beta   130.74
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Mo
_chemical_formula_sum   'Y1 Al2 Mo1'
_cell_volume   75.95
_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  0.82  1.0
  Al  Al0  1  0.86  0.0  0.14  1.0
  Al  Al1  1  0.0  0.0  0.24  1.0
  Mo  Mo2  1  0.86  0.0  0.43  1.0

data_YAl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.5
_cell_length_c   5.4
_cell_angle_alpha   114.63
_cell_angle_beta   110.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Mo
_chemical_formula_sum   'Y1 Al2 Mo1'
_cell_volume   75.95
_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  0.82  0.82  1.0
  Al  Al1  1  0.0  0.14  0.29  1.0
  Al  Al2  1  0.0  0.24  0.24  1.0
  Mo  Mo3  1  0.0  0.43  0.57  1.0

Y Al Al Mo