data_RbPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.55
_cell_length_b   14.55
_cell_length_c   14.55
_cell_angle_alpha   165.05
_cell_angle_beta   165.05
_cell_angle_gamma   21.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbPt3
_chemical_formula_sum   'Rb2 Pt6'
_cell_volume   204.67
_cell_formula_units_Z   2
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
  Rb  Rb6  1  0.0  0.0  0.08  1.0
  Rb  Rb7  1  0.0  0.0  0.52  1.0
  Pt  Pt0  1  0.0  0.0  0.85  1.0
  Pt  Pt1  1  0.0  0.89  0.15  1.0
  Pt  Pt2  1  0.0  0.89  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.74  1.0
  Pt  Pt4  1  0.89  0.0  0.15  1.0
  Pt  Pt5  1  0.89  0.0  0.0  1.0

data_RbPt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   14.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RbPt3
_chemical_formula_sum   'Rb4 Pt12'
_cell_volume   409.35
_cell_formula_units_Z   4
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
  Rb  Rb0  2  0.02  0.5  0.52  1.0
  Rb  Rb1  2  0.08  0.0  0.08  1.0
  Pt  Pt2  4  0.05  0.95  0.11  1.0
  Pt  Pt3  4  0.2  0.05  0.26  1.0
  Pt  Pt4  2  0.24  0.5  0.74  1.0
  Pt  Pt5  2  0.35  0.5  0.85  1.0

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