data_LiPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.46
_cell_angle_alpha   99.01
_cell_angle_beta   99.01
_cell_angle_gamma   58.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtCl2
_chemical_formula_sum   'Li1 Pt1 Cl2'
_cell_volume   72.77
_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  Li2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.3  0.0  0.67  1.0
  Cl  Cl0  1  0.98  0.0  0.41  1.0
  Cl  Cl1  1  0.61  0.0  0.93  1.0

data_LiPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.41
_cell_length_c   7.46
_cell_angle_alpha   99.01
_cell_angle_beta   90.0
_cell_angle_gamma   119.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtCl2
_chemical_formula_sum   'Li1 Pt1 Cl2'
_cell_volume   72.77
_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  0.0  1.0
  Pt  Pt1  1  0.0  0.7  0.33  1.0
  Cl  Cl2  1  0.0  0.02  0.59  1.0
  Cl  Cl3  1  0.0  0.39  0.07  1.0

Li Pt Cl Cl
Li Pt Cl Cl 0 3 - o - 1 2 - o o 1 3 o o o 