data_YSc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2P
_chemical_formula_sum   'Y1 Sc2 P1'
_cell_volume   94.19
_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
  Y  Y3  1  0.0  0.0  0.18  1.0
  Sc  Sc1  1  0.12  0.0  0.54  1.0
  Sc  Sc2  1  0.12  0.0  0.81  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_YSc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2P
_chemical_formula_sum   'Y1 Sc2 P1'
_cell_volume   94.19
_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
  Y  Y0  1  0.0  0.0  0.18  1.0
  Sc  Sc1  1  0.12  0.0  0.54  1.0
  Sc  Sc2  1  0.12  0.0  0.81  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Y Sc Sc P
Y Sc Sc P 0 3 o o o 1 2 o o o 2 3 o o + 