data_Sr5Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   97.89
_cell_angle_beta   97.89
_cell_angle_gamma   136.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Pt4
_chemical_formula_sum   'Sr5 Pt4'
_cell_volume   235.87
_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  Sr4  1  0.0  0.0  0.0  1.0
  Sr  Sr5  1  0.96  0.96  0.0  1.0
  Sr  Sr6  1  0.25  0.75  0.66  1.0
  Sr  Sr7  1  0.75  0.25  0.66  1.0
  Sr  Sr8  1  0.75  0.75  0.66  1.0
  Pt  Pt0  1  0.0  0.27  0.0  1.0
  Pt  Pt1  1  0.0  0.15  0.0  1.0
  Pt  Pt2  1  0.27  0.0  0.0  1.0
  Pt  Pt3  1  0.15  0.0  0.0  1.0

data_Sr5Pt4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   13.32
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   111.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr5Pt4
_chemical_formula_sum   'Sr10 Pt8'
_cell_volume   471.74
_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  4  0.16  0.25  0.66  1.0
  Sr  Sr1  2  0.0  0.0  0.0  1.0
  Sr  Sr2  2  0.04  0.0  0.0  1.0
  Sr  Sr3  2  0.41  0.5  0.66  1.0
  Pt  Pt4  4  0.36  0.36  0.0  1.0
  Pt  Pt5  4  0.43  0.43  0.0  1.0

Sr Sr Sr Sr Sr Pt Pt Pt Pt
Sr Sr Sr Sr Sr Pt Pt Pt Pt 0 1 - - o 0 4 - - - 0 6 o o o 0 8 o o o 1 4 o o - 2 3 - o o 2 3 o + o 2 7 o + + 3 5 + o + 4 6 + + + 4 8 + + + 5 6 o o o 7 8 o o o 