data_YSc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   9.07
_cell_angle_alpha   22.99
_cell_angle_beta   22.99
_cell_angle_gamma   22.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2P
_chemical_formula_sum   'Y1 Sc2 P1'
_cell_volume   99.82
_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  0.24  1.0
  Sc  Sc1  1  0.0  0.0  0.33  1.0
  Sc  Sc2  1  0.0  0.0  0.15  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_YSc2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   3.61
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   103.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSc2P
_chemical_formula_sum   'Y2 Sc4 P2'
_cell_volume   199.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.76  1.0
  Sc  Sc1  2  -0.0  0.0  0.67  1.0
  Sc  Sc2  2  0.0  0.0  0.85  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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