data_SrSc2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   148.47
_cell_angle_beta   129.12
_cell_angle_gamma   61.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Pt
_chemical_formula_sum   'Sr1 Sc2 Pt1'
_cell_volume   104.15
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.73  0.0  0.38  1.0
  Sc  Sc2  1  0.0  0.74  0.11  1.0
  Pt  Pt0  1  0.0  0.0  0.49  1.0

data_SrSc2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.48
_cell_length_c   6.37
_cell_angle_alpha   115.44
_cell_angle_beta   105.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Pt
_chemical_formula_sum   'Sr1 Sc2 Pt1'
_cell_volume   104.15
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.38  0.65  1.0
  Sc  Sc2  1  0.26  0.37  0.37  1.0
  Pt  Pt3  1  0.0  0.49  0.49  1.0

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