data_Sr2PtO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PtO4
_chemical_formula_sum   'Sr4 Pt2 O8'
_cell_volume   231.1
_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  Sr10  1  0.65  0.65  0.09  1.0
  Sr  Sr11  1  0.65  0.09  0.65  1.0
  Sr  Sr12  1  0.09  0.09  0.09  1.0
  Sr  Sr13  1  0.09  0.65  0.65  1.0
  Pt  Pt8  1  0.0  0.0  0.0  1.0
  Pt  Pt9  1  0.44  0.44  0.44  1.0
  O  O0  1  0.04  0.04  0.57  1.0
  O  O1  1  0.6  0.14  0.14  1.0
  O  O2  1  0.6  0.6  0.6  1.0
  O  O3  1  0.14  0.6  0.14  1.0
  O  O4  1  0.04  0.57  0.04  1.0
  O  O5  1  0.57  0.57  0.57  1.0
  O  O6  1  0.57  0.04  0.04  1.0
  O  O7  1  0.14  0.14  0.6  1.0

data_Sr2PtO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   16.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2PtO4
_chemical_formula_sum   'Sr12 Pt6 O24'
_cell_volume   693.3
_cell_formula_units_Z   6
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  9  0.04  0.52  0.87  1.0
  Sr  Sr1  3  0.0  0.0  0.91  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.56  1.0
  O  O4  9  0.02  0.51  0.37  1.0
  O  O5  9  0.18  0.36  0.78  1.0
  O  O6  3  0.0  0.0  0.4  1.0
  O  O7  3  0.0  0.0  0.43  1.0

Sr Sr Sr Sr Pt Pt O O O O O O O O
Sr2PtO4 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one Pt(2), one O(4), and two equivalent O(1) atoms. The Sr(1)-Pt(2) bond length is 2.30 Å. The Sr(1)-O(4) bond length is 2.89 Å. Both Sr(1)-O(1) bond lengths are 2.31 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Pt(1) and three equivalent O(1) atoms. The Sr(2)-Pt(1) bond length is 1.49 Å. All Sr(2)-O(1) bond lengths are 3.04 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted tetrahedral geometry to one Sr(2) and three equivalent O(2) atoms. All Pt(1)-O(2) bond lengths are 2.23 Å. In the second Pt site, Pt(2) is bonded in a distorted trigonal pyramidal geometry to three equivalent Sr(1) and one O(4) atom. The Pt(2)-O(4) bond length is 2.32 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one O(2) atom. The O(1)-O(2) bond length is 1.31 Å. In the second O site, O(2) is bonded in an L-shaped geometry to one Pt(1) and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(4) atom. The O(3)-O(4) bond length is 0.52 Å. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Pt(2), and one O(3) atom.