data_LiSiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiPt2
_chemical_formula_sum   'Li1 Si1 Pt2'
_cell_volume   60.25
_cell_formula_units_Z   1
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  0.0  0.59  1.0
  Si  Si3  1  0.42  0.42  0.55  1.0
  Pt  Pt1  1  0.42  0.42  0.39  1.0
  Pt  Pt2  1  0.0  0.0  0.04  1.0

data_LiSiPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSiPt2
_chemical_formula_sum   'Li2 Si2 Pt4'
_cell_volume   120.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.59  1.0
  Si  Si1  2  0.42  0.0  0.55  1.0
  Pt  Pt2  2  0.0  0.0  0.04  1.0
  Pt  Pt3  2  0.42  0.0  0.39  1.0

Li Si Pt Pt
Li Si Pt Pt 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o + 1 2 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 