data_ZrScNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScNb2
_chemical_formula_sum   'Zr1 Sc1 Nb2'
_cell_volume   81.21
_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
  Zr  Zr3  1  0.0  0.0  0.92  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.73  0.0  0.35  1.0
  Nb  Nb1  1  0.73  0.0  0.49  1.0

data_ZrScNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScNb2
_chemical_formula_sum   'Zr1 Sc1 Nb2'
_cell_volume   81.21
_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
  Zr  Zr0  1  0.0  0.0  0.92  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.73  0.0  0.35  1.0
  Nb  Nb3  1  0.73  0.0  0.49  1.0

Zr Sc Nb Nb