data_P4PtF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.31
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4PtF12
_chemical_formula_sum   'P4 Pt1 F12'
_cell_volume   300.12
_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
  P  P0  1  0.91  0.91  0.91  1.0
  P  P1  1  0.3  0.7  0.3  1.0
  P  P2  1  0.7  0.3  0.3  1.0
  P  P3  1  0.3  0.3  0.7  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  F  F5  1  0.19  0.19  0.56  1.0
  F  F6  1  0.03  0.34  0.03  1.0
  F  F7  1  0.88  0.81  0.19  1.0
  F  F8  1  0.19  0.88  0.81  1.0
  F  F9  1  0.81  0.88  0.19  1.0
  F  F10  1  0.03  0.03  0.34  1.0
  F  F11  1  0.19  0.56  0.19  1.0
  F  F12  1  0.81  0.19  0.88  1.0
  F  F13  1  0.19  0.81  0.88  1.0
  F  F14  1  0.88  0.19  0.81  1.0
  F  F15  1  0.34  0.03  0.03  1.0
  F  F16  1  0.56  0.19  0.19  1.0

data_P4PtF12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.93
_cell_length_b   11.93
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   P4PtF12
_chemical_formula_sum   'P12 Pt3 F36'
_cell_volume   900.37
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  P  P0  9  0.2  0.4  0.1  1.0
  P  P1  3  0.0  0.0  0.91  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0
  F  F3  18  0.19  0.44  0.63  1.0
  F  F4  9  0.21  0.1  0.13  1.0
  F  F5  9  0.21  0.42  0.98  1.0

P P P P Pt F F F F F F F F F F F F
P P P P Pt F F F F F F F F F F F F 0 4 + + + 1 11 o o o 2 16 o o o 3 5 o o o 5 10 o o o 6 14 - o - 6 12 - o - 6 11 o o o 7 9 o o o 7 10 + + o 8 13 o o o 8 15 o + + 9 10 + + o 12 14 o o o 13 15 o + + 15 16 o o o 