data_ScGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.5
_cell_length_b   8.5
_cell_length_c   8.5
_cell_angle_alpha   21.56
_cell_angle_beta   21.56
_cell_angle_gamma   21.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe2Pt
_chemical_formula_sum   'Sc1 Ge2 Pt1'
_cell_volume   72.71
_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
  Ge  Ge0  1  0.0  0.0  0.87  1.0
  Ge  Ge1  1  0.0  0.0  0.04  1.0
  Pt  Pt2  1  0.0  0.0  0.45  1.0

data_ScGe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   102.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScGe2Pt
_chemical_formula_sum   'Sc2 Ge4 Pt2'
_cell_volume   145.42
_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
  Ge  Ge1  2  0.0  0.0  0.13  1.0
  Ge  Ge2  2  0.0  0.0  0.96  1.0
  Pt  Pt3  2  0.0  0.0  0.55  1.0

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