data_ScOs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   150.66
_cell_angle_beta   132.05
_cell_angle_gamma   57.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Pt
_chemical_formula_sum   'Sc1 Os2 Pt1'
_cell_volume   64.73
_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
  Os  Os0  1  0.0  0.29  0.3  1.0
  Os  Os1  1  0.43  0.0  0.65  1.0
  Pt  Pt2  1  0.0  0.0  0.95  1.0

data_ScOs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.58
_cell_length_c   5.64
_cell_angle_alpha   113.98
_cell_angle_beta   104.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Pt
_chemical_formula_sum   'Sc1 Os2 Pt1'
_cell_volume   64.73
_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  Sc0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.65  0.23  1.0
  Os  Os2  1  0.71  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.95  0.95  1.0

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