data_Y2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   55.55
_cell_angle_beta   55.55
_cell_angle_gamma   55.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mo
_chemical_formula_sum   'Y4 Mo2'
_cell_volume   146.5
_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  0.0  0.0  1.0
  Y  Y3  1  0.91  0.58  0.76  1.0
  Y  Y4  1  0.17  0.0  0.76  1.0
  Y  Y5  1  0.91  0.42  0.76  1.0
  Mo  Mo0  1  0.0  0.0  0.15  1.0
  Mo  Mo1  1  0.0  0.0  0.37  1.0

data_Y2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   6.14
_cell_angle_alpha   62.23
_cell_angle_beta   62.23
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mo
_chemical_formula_sum   'Y4 Mo2'
_cell_volume   146.5
_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  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.24  0.93  1.0
  Y  Y2  1  0.42  0.24  0.26  1.0
  Y  Y3  1  0.58  0.24  0.09  1.0
  Mo  Mo4  1  0.0  0.63  0.37  1.0
  Mo  Mo5  1  0.0  0.85  0.15  1.0

Y Y Y Y Mo Mo