data_Y3Mo
_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   116.98
_cell_angle_beta   116.98
_cell_angle_gamma   116.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mo
_chemical_formula_sum   'Y3 Mo1'
_cell_volume   102.94
_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  Y1  1  0.38  0.49  0.08  1.0
  Y  Y2  1  0.0  0.03  0.08  1.0
  Y  Y3  1  0.62  0.49  0.08  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Y3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   116.98
_cell_angle_beta   100.12
_cell_angle_gamma   100.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mo
_chemical_formula_sum   'Y3 Mo1'
_cell_volume   102.94
_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  0.08  0.08  0.05  1.0
  Y  Y1  1  0.08  0.46  0.59  1.0
  Y  Y2  1  0.08  0.7  0.59  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Y Y Y Mo