data_ScP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   6.75
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2
_chemical_formula_sum   'Sc2 P4'
_cell_volume   124.64
_cell_formula_units_Z   2
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  Sc4  1  0.0  0.0  0.0  1.0
  Sc  Sc5  1  0.61  0.38  0.77  1.0
  P  P0  1  0.73  0.15  0.0  1.0
  P  P1  1  0.49  0.6  0.0  1.0
  P  P2  1  0.34  0.97  0.77  1.0
  P  P3  1  0.88  0.78  0.77  1.0

data_ScP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.22
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2
_chemical_formula_sum   'Sc2 P4'
_cell_volume   124.64
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.77  0.61  0.38  1.0
  P  P2  1  0.0  0.49  0.6  1.0
  P  P3  1  0.0  0.73  0.15  1.0
  P  P4  1  0.77  0.34  0.97  1.0
  P  P5  1  0.77  0.88  0.78  1.0

Sc Sc P P P P