data_ScSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   36.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiP2
_chemical_formula_sum   'Sc1 Si1 P2'
_cell_volume   67.67
_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  0.83  0.0  0.92  1.0
  Si  Si3  1  0.0  0.0  0.56  1.0
  P  P0  1  0.0  0.0  0.33  1.0
  P  P1  1  0.83  0.0  0.04  1.0

data_ScSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.65
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiP2
_chemical_formula_sum   'Sc1 Si1 P2'
_cell_volume   67.67
_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  0.08  0.83  0.08  1.0
  Si  Si1  1  0.44  0.0  0.44  1.0
  P  P2  1  0.67  0.0  0.67  1.0
  P  P3  1  0.96  0.83  0.96  1.0

Sc Si P P