data_SrPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   19.45
_cell_angle_beta   19.45
_cell_angle_gamma   19.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPt2Au
_chemical_formula_sum   'Sr1 Pt2 Au1'
_cell_volume   80.67
_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
  Pt  Pt1  1  0.0  0.0  0.87  1.0
  Pt  Pt2  1  0.0  0.0  0.8  1.0
  Au  Au0  1  0.0  0.0  0.84  1.0

data_SrPt2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.18
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrPt2Au
_chemical_formula_sum   'Sr2 Pt4 Au2'
_cell_volume   161.35
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.13  1.0
  Pt  Pt2  2  0.0  0.0  0.2  1.0
  Au  Au3  2  0.0  0.0  0.16  1.0

Sr Pt Pt Au
Sr Pt Pt Au 0 1 o o - 1 3 o o o 2 3 o o o 