data_Sc3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   8.41
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3P
_chemical_formula_sum   'Sc12 P4'
_cell_volume   329.67
_cell_formula_units_Z   4
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  0.62  0.43  0.05  1.0
  Sc  Sc1  1  0.22  0.78  0.84  1.0
  Sc  Sc2  1  0.18  0.63  0.72  1.0
  Sc  Sc3  1  0.58  0.98  0.93  1.0
  Sc  Sc4  1  0.18  0.98  0.72  1.0
  Sc  Sc5  1  0.58  0.63  0.93  1.0
  Sc  Sc6  1  0.62  0.78  0.05  1.0
  Sc  Sc7  1  0.22  0.43  0.84  1.0
  Sc  Sc8  1  0.58  0.1  0.96  1.0
  Sc  Sc9  1  0.18  0.1  0.69  1.0
  Sc  Sc10  1  0.22  0.31  0.81  1.0
  Sc  Sc11  1  0.62  0.31  0.08  1.0
  P  P12  1  0.95  0.1  0.42  1.0
  P  P13  1  0.55  0.1  0.46  1.0
  P  P14  1  0.85  0.31  0.35  1.0
  P  P15  1  0.24  0.31  0.3  1.0

data_Sc3P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.77
_cell_length_b   6.8
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc3P
_chemical_formula_sum   'Sc12 P4'
_cell_volume   329.67
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.78  0.9  1.0
  Sc  Sc1  2  0.34  0.78  0.43  1.0
  Sc  Sc2  2  0.34  0.78  0.78  1.0
  Sc  Sc3  2  0.42  0.82  0.1  1.0
  Sc  Sc4  2  0.45  0.82  0.22  1.0
  Sc  Sc5  2  0.45  0.82  0.57  1.0
  P  P6  2  0.04  0.55  0.9  1.0
  P  P7  2  0.08  0.15  0.9  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc P P P P
Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc P P P P 0 11 o o o 0 15 o o o 1 2 o o o 3 8 o + o 3 13 o + + 3 13 o + o 4 9 o + o 4 13 o + o 5 6 o o + 7 10 o o o 7 15 o o + 7 15 o o o 8 13 o o + 8 13 o o o 9 12 - o o 9 13 o o o 9 15 o o o 10 15 o o + 10 15 o o o 11 13 o o o 11 14 o o o 11 15 o o o 12 14 o o o 12 13 o o o 12 15 + o o 13 15 o o o 13 14 o o o 14 15 + o o 