data_YNb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.47
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Mo
_chemical_formula_sum   'Y1 Nb2 Mo1'
_cell_volume   80.21
_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  0.88  0.0  0.01  1.0
  Nb  Nb1  1  0.95  0.0  0.89  1.0
  Nb  Nb2  1  0.08  0.23  0.26  1.0
  Mo  Mo0  1  0.81  0.23  0.69  1.0

data_YNb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.47
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Mo
_chemical_formula_sum   'Y1 Nb2 Mo1'
_cell_volume   80.21
_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  0.88  0.0  0.01  1.0
  Nb  Nb1  1  0.08  0.23  0.26  1.0
  Nb  Nb2  1  0.95  0.0  0.89  1.0
  Mo  Mo3  1  0.81  0.23  0.69  1.0

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