data_YSc2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   146.63
_cell_angle_beta   131.11
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Pt
_chemical_formula_sum   'Y1 Sc2 Pt1'
_cell_volume   92.29
_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  0.0  1.0
  Sc  Sc1  1  0.75  0.0  0.09  1.0
  Sc  Sc2  1  0.0  0.52  0.16  1.0
  Pt  Pt0  1  0.0  0.0  0.25  1.0

data_YSc2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.03
_cell_length_c   6.08
_cell_angle_alpha   114.44
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Pt
_chemical_formula_sum   'Y1 Sc2 Pt1'
_cell_volume   92.29
_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  0.0  1.0
  Sc  Sc1  1  0.66  0.91  0.66  1.0
  Sc  Sc2  1  0.84  0.35  0.35  1.0
  Pt  Pt3  1  0.75  0.75  0.75  1.0

Y Sc Sc Pt
Y Sc Sc Pt 0 3 o o o 0 2 o o o 1 3 + o o 1 2 + - o 2 3 o + o 