data_YNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.42
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbMo2
_chemical_formula_sum   'Y1 Nb1 Mo2'
_cell_volume   77.59
_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  0.78  0.0  0.39  1.0
  Nb  Nb2  1  0.02  0.21  0.65  1.0
  Mo  Mo0  1  0.89  0.21  0.25  1.0
  Mo  Mo1  1  0.99  0.0  0.41  1.0

data_YNbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.42
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbMo2
_chemical_formula_sum   'Y1 Nb1 Mo2'
_cell_volume   77.59
_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  0.78  0.0  0.39  1.0
  Nb  Nb1  1  0.02  0.21  0.65  1.0
  Mo  Mo2  1  0.89  0.21  0.25  1.0
  Mo  Mo3  1  0.99  0.0  0.41  1.0

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