data_SrP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrP2Pt
_chemical_formula_sum   'Sr2 P4 Pt2'
_cell_volume   169.27
_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  Sr6  1  0.95  1.0  0.81  1.0
  Sr  Sr7  1  0.95  0.0  0.42  1.0
  P  P0  1  0.95  0.95  0.23  1.0
  P  P1  1  0.95  0.05  0.84  1.0
  P  P2  1  0.95  0.95  0.39  1.0
  P  P3  1  0.95  0.05  0.01  1.0
  Pt  Pt4  1  0.95  0.83  0.81  1.0
  Pt  Pt5  1  0.95  0.17  0.42  1.0

data_SrP2Pt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.9
_cell_length_b   6.32
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.96
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrP2Pt
_chemical_formula_sum   'Sr2 P4 Pt2'
_cell_volume   169.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.5  0.69  1.0
  P  P1  2  0.05  0.55  0.11  1.0
  P  P2  2  0.05  0.55  0.27  1.0
  Pt  Pt3  2  0.17  0.67  0.69  1.0

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