data_YMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   131.78
_cell_angle_beta   118.52
_cell_angle_gamma   81.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMo
_chemical_formula_sum   'Y2 Mo2'
_cell_volume   89.62
_cell_formula_units_Z   2
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  Y2  1  0.0  0.33  0.74  1.0
  Y  Y3  1  0.13  0.33  0.21  1.0
  Mo  Mo0  1  0.0  0.33  0.32  1.0
  Mo  Mo1  1  0.13  0.33  0.63  1.0

data_YMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   61.48
_cell_angle_beta   65.89
_cell_angle_gamma   65.89
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YMo
_chemical_formula_sum   'Y2 Mo2'
_cell_volume   89.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.43  0.74  1.0
  Mo  Mo1  2  -0.0  0.43  0.15  1.0

Y Y Mo Mo