data_LiPtO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.15
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   118.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtO2
_chemical_formula_sum   'Li3 Pt3 O6'
_cell_volume   130.2
_cell_formula_units_Z   3
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
  Li  Li0  1  0.85  0.65  0.0  1.0
  Li  Li1  1  0.85  0.35  0.0  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.85  0.23  0.37  1.0
  Pt  Pt4  1  0.85  0.77  0.37  1.0
  Pt  Pt5  1  0.85  0.0  0.37  1.0
  O  O6  1  0.89  0.73  0.29  1.0
  O  O7  1  0.81  0.27  0.46  1.0
  O  O8  1  0.81  0.73  0.46  1.0
  O  O9  1  0.89  0.27  0.29  1.0
  O  O10  1  0.89  0.0  0.26  1.0
  O  O11  1  0.81  0.0  0.49  1.0

data_LiPtO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   118.7
_cell_angle_beta   101.42
_cell_angle_gamma   101.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtO2
_chemical_formula_sum   'Li3 Pt3 O6'
_cell_volume   130.2
_cell_formula_units_Z   3
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
  Li  Li0  1  -0.0  0.85  0.35  1.0
  Li  Li1  1  -0.0  0.85  0.65  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.37  0.85  0.0  1.0
  Pt  Pt4  1  0.37  0.85  0.23  1.0
  Pt  Pt5  1  0.37  0.85  0.77  1.0
  O  O6  1  0.26  0.89  0.0  1.0
  O  O7  1  0.29  0.89  0.27  1.0
  O  O8  1  0.29  0.89  0.73  1.0
  O  O9  1  0.46  0.81  0.27  1.0
  O  O10  1  0.46  0.81  0.73  1.0
  O  O11  1  0.49  0.81  0.0  1.0

Li Li Li Pt Pt Pt O O O O O O