data_Sc3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   116.37
_cell_angle_beta   116.37
_cell_angle_gamma   116.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3P
_chemical_formula_sum   'Sc3 P1'
_cell_volume   81.09
_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  Sc1  1  0.66  0.65  0.07  1.0
  Sc  Sc2  1  0.34  0.65  0.07  1.0
  Sc  Sc3  1  0.0  0.71  0.07  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Sc3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   116.37
_cell_angle_beta   101.13
_cell_angle_gamma   101.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3P
_chemical_formula_sum   'Sc3 P1'
_cell_volume   81.09
_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  0.07  0.41  0.42  1.0
  Sc  Sc1  1  0.07  0.72  0.42  1.0
  Sc  Sc2  1  0.07  0.07  0.36  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sc Sc Sc P