data_YScNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.7
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScNb2
_chemical_formula_sum   'Y1 Sc1 Nb2'
_cell_volume   89.79
_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  0.54  0.35  0.72  1.0
  Sc  Sc2  1  0.28  0.0  0.81  1.0
  Nb  Nb0  1  0.31  0.0  0.17  1.0
  Nb  Nb1  1  0.9  0.35  0.47  1.0

data_YScNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.7
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScNb2
_chemical_formula_sum   'Y1 Sc1 Nb2'
_cell_volume   89.79
_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  0.54  0.35  0.72  1.0
  Sc  Sc1  1  0.28  0.0  0.81  1.0
  Nb  Nb2  1  0.31  0.0  0.17  1.0
  Nb  Nb3  1  0.9  0.35  0.47  1.0

Y Sc Nb Nb