data_Sr4P6Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   78.97
_cell_angle_beta   78.97
_cell_angle_gamma   78.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4P6Pt
_chemical_formula_sum   'Sr8 P12 Pt2'
_cell_volume   507.82
_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
  Sr  Sr14  1  0.0  0.0  0.39  1.0
  Sr  Sr15  1  0.0  0.0  0.13  1.0
  Sr  Sr16  1  0.21  0.86  0.89  1.0
  Sr  Sr17  1  0.37  0.12  0.89  1.0
  Sr  Sr18  1  0.42  0.02  0.89  1.0
  Sr  Sr19  1  0.79  0.14  0.64  1.0
  Sr  Sr20  1  0.63  0.88  0.64  1.0
  Sr  Sr21  1  0.58  0.98  0.64  1.0
  P  P0  1  0.9  0.12  0.5  1.0
  P  P1  1  0.11  0.89  0.5  1.0
  P  P2  1  0.99  0.99  0.5  1.0
  P  P3  1  0.9  0.84  0.78  1.0
  P  P4  1  0.95  0.13  0.78  1.0
  P  P5  1  0.14  0.03  0.78  1.0
  P  P6  1  0.1  0.88  0.03  1.0
  P  P7  1  0.89  0.11  0.03  1.0
  P  P8  1  0.01  0.01  0.03  1.0
  P  P9  1  0.1  0.16  0.75  1.0
  P  P10  1  0.05  0.87  0.75  1.0
  P  P11  1  0.86  0.97  0.75  1.0
  Pt  Pt12  1  0.0  0.0  0.0  1.0
  Pt  Pt13  1  0.0  0.0  0.26  1.0

data_Sr4P6Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   78.97
_cell_angle_beta   78.97
_cell_angle_gamma   78.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4P6Pt
_chemical_formula_sum   'Sr8 P12 Pt2'
_cell_volume   507.82
_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
  Sr  Sr0  1  0.0  0.0  0.61  1.0
  Sr  Sr1  1  0.0  0.0  0.87  1.0
  Sr  Sr2  1  0.02  0.42  0.36  1.0
  Sr  Sr3  1  0.12  0.37  0.36  1.0
  Sr  Sr4  1  0.14  0.79  0.11  1.0
  Sr  Sr5  1  0.86  0.21  0.36  1.0
  Sr  Sr6  1  0.88  0.63  0.11  1.0
  Sr  Sr7  1  0.98  0.58  0.11  1.0
  P  P8  1  0.01  0.01  0.5  1.0
  P  P9  1  0.03  0.14  0.25  1.0
  P  P10  1  0.11  0.89  0.5  1.0
  P  P11  1  0.12  0.9  0.97  1.0
  P  P12  1  0.13  0.95  0.25  1.0
  P  P13  1  0.16  0.1  0.22  1.0
  P  P14  1  0.84  0.9  0.25  1.0
  P  P15  1  0.87  0.05  0.22  1.0
  P  P16  1  0.88  0.1  0.5  1.0
  P  P17  1  0.89  0.11  0.97  1.0
  P  P18  1  0.97  0.86  0.22  1.0
  P  P19  1  0.99  0.99  0.97  1.0
  Pt  Pt20  1  0.0  0.0  0.0  1.0
  Pt  Pt21  1  0.0  0.0  0.74  1.0

Sr Sr Sr Sr Sr Sr Sr Sr P P P P P P P P P P P P Pt Pt
Sr Sr Sr Sr Sr Sr Sr Sr P P P P P P P P P P P P Pt Pt 0 10 - - o 0 21 o o o 1 16 o o o 1 21 o o o 2 13 o + o 2 14 o o + 3 4 o o o 5 8 o o o 5 19 o - o 6 7 o o o 8 10 o - o 9 10 - o o 11 19 o o o 11 18 + o o 12 17 + o o 13 17 o o o 14 20 o + o 14 16 o + o 15 20 + o o 15 16 + o o 16 20 o o o 