data_Y2ScP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   146.25
_cell_angle_beta   134.23
_cell_angle_gamma   58.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScP
_chemical_formula_sum   'Y2 Sc1 P1'
_cell_volume   99.77
_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  Y2  1  0.84  0.0  0.12  1.0
  Y  Y3  1  0.0  0.46  0.41  1.0
  Sc  Sc1  1  0.0  0.0  0.53  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Y2ScP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.92
_cell_length_c   6.32
_cell_angle_alpha   112.88
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScP
_chemical_formula_sum   'Y2 Sc1 P1'
_cell_volume   99.77
_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  0.59  0.05  0.05  1.0
  Y  Y1  1  0.72  0.88  0.72  1.0
  Sc  Sc2  1  0.47  0.47  0.47  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Y Y Sc P