data_LiP2Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP2Pt3
_chemical_formula_sum   'Li4 P8 Pt12'
_cell_volume   394.39
_cell_formula_units_Z   4
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  0.75  0.42  0.58  1.0
  Li  Li1  1  0.92  0.92  0.92  1.0
  Li  Li2  1  0.58  0.75  0.42  1.0
  Li  Li3  1  0.42  0.58  0.75  1.0
  P  P4  1  0.31  0.31  0.31  1.0
  P  P5  1  0.69  0.03  0.64  1.0
  P  P6  1  0.03  0.64  0.69  1.0
  P  P7  1  0.64  0.69  0.03  1.0
  P  P8  1  0.14  0.47  0.19  1.0
  P  P9  1  0.86  0.86  0.86  1.0
  P  P10  1  0.47  0.19  0.14  1.0
  P  P11  1  0.19  0.14  0.47  1.0
  Pt  Pt12  1  0.58  0.05  0.12  1.0
  Pt  Pt13  1  0.42  0.28  0.78  1.0
  Pt  Pt14  1  0.75  0.38  0.55  1.0
  Pt  Pt15  1  0.92  0.95  0.22  1.0
  Pt  Pt16  1  0.12  0.58  0.05  1.0
  Pt  Pt17  1  0.78  0.42  0.28  1.0
  Pt  Pt18  1  0.55  0.75  0.38  1.0
  Pt  Pt19  1  0.22  0.92  0.95  1.0
  Pt  Pt20  1  0.05  0.12  0.58  1.0
  Pt  Pt21  1  0.28  0.78  0.42  1.0
  Pt  Pt22  1  0.38  0.55  0.75  1.0
  Pt  Pt23  1  0.95  0.22  0.92  1.0

data_LiP2Pt3
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LiP2Pt3
_chemical_formula_sum   'Li12 P24 Pt36'
_cell_volume   1183.16
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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  9  -0.0  0.17  0.58  1.0
  Li  Li1  3  0.0  0.0  0.92  1.0
  P  P2  9  0.19  0.43  0.45  1.0
  P  P3  9  0.2  0.13  0.27  1.0
  P  P4  3  0.0  0.0  0.31  1.0
  P  P5  3  0.0  0.0  0.86  1.0
  Pt  Pt6  9  0.0  0.47  0.58  1.0
  Pt  Pt7  9  0.12  0.74  0.16  1.0
  Pt  Pt8  9  0.16  0.48  0.23  1.0
  Pt  Pt9  9  0.19  0.08  0.03  1.0

Li Li Li Li P P P P P P P P Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt