data_MgPPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPPt5
_chemical_formula_sum   'Mg1 P1 Pt5'
_cell_volume   109.27
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.97  0.97  0.51  1.0
  Pt  Pt2  1  0.97  0.97  0.0  1.0
  Pt  Pt3  1  0.97  0.0  0.05  1.0
  Pt  Pt4  1  0.0  0.97  0.05  1.0
  Pt  Pt5  1  0.97  0.0  0.98  1.0
  Pt  Pt6  1  0.0  0.97  0.98  1.0

data_MgPPt5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPPt5
_chemical_formula_sum   'Mg2 P2 Pt10'
_cell_volume   218.54
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  P  P1  2  0.47  0.5  0.51  1.0
  Pt  Pt2  4  0.49  0.49  0.05  1.0
  Pt  Pt3  4  0.49  0.49  0.98  1.0
  Pt  Pt4  2  0.47  0.5  -0.0  1.0

Mg P Pt Pt Pt Pt Pt
Mg P Pt Pt Pt Pt Pt 0 2 - - o 0 1 - - o 0 1 - - - 1 1 + o o 1 1 o + o 1 4 + o o 1 4 + o + 1 6 + o - 1 6 + o o 1 3 o + o 1 3 o + + 1 5 o + - 1 5 o + o 1 2 o o o 1 2 o o + 3 4 + - o 5 6 + - o 