data_Sc2NbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   39.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbP
_chemical_formula_sum   'Sc2 Nb1 P1'
_cell_volume   77.63
_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
  Sc  Sc2  1  0.95  0.0  0.48  1.0
  Sc  Sc3  1  0.0  0.0  0.32  1.0
  Nb  Nb0  1  0.95  0.0  0.93  1.0
  P  P1  1  0.0  0.0  0.51  1.0

data_Sc2NbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.89
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   109.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbP
_chemical_formula_sum   'Sc2 Nb1 P1'
_cell_volume   77.63
_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
  Sc  Sc0  1  0.52  0.95  0.52  1.0
  Sc  Sc1  1  0.68  0.0  0.68  1.0
  Nb  Nb2  1  0.07  0.95  0.07  1.0
  P  P3  1  0.49  0.0  0.49  1.0

Sc Sc Nb P
Sc Sc Nb P 0 3 + o o 0 1 + o o 0 2 o o o 1 3 o o o 1 2 - o - 2 3 + o o 