data_ScSb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   134.43
_cell_angle_beta   134.43
_cell_angle_gamma   66.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb2Pt
_chemical_formula_sum   'Sc1 Sb2 Pt1'
_cell_volume   86.24
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.15  0.33  1.0
  Sb  Sb2  1  0.15  0.0  0.33  1.0
  Pt  Pt0  1  0.0  0.0  0.65  1.0

data_ScSb2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   123.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSb2Pt
_chemical_formula_sum   'Sc2 Sb4 Pt2'
_cell_volume   172.49
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.42  0.42  0.17  1.0
  Pt  Pt2  2  0.0  0.0  0.65  1.0

Sc Sb Sb Pt
Sc Sb Sb Pt 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 