data_Y3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.33
_cell_length_b   12.33
_cell_length_c   12.33
_cell_angle_alpha   15.74
_cell_angle_beta   15.74
_cell_angle_gamma   15.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mo2
_chemical_formula_sum   'Y3 Mo2'
_cell_volume   120.11
_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  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.7  1.0
  Y  Y4  1  0.0  0.0  0.82  1.0
  Mo  Mo0  1  0.0  0.0  0.45  1.0
  Mo  Mo1  1  0.0  0.0  0.07  1.0

data_Y3Mo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   3.38
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   99.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y3Mo2
_chemical_formula_sum   'Y6 Mo4'
_cell_volume   240.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.18  1.0
  Y  Y2  2  0.0  0.0  0.3  1.0
  Mo  Mo3  2  0.0  0.0  0.55  1.0
  Mo  Mo4  2  0.0  0.0  0.93  1.0

Y Y Y Mo Mo
Y Y Y Mo Mo 0 4 o o o 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 