data_LiZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.53
_cell_angle_alpha   110.78
_cell_angle_beta   110.78
_cell_angle_gamma   32.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnPt2
_chemical_formula_sum   'Li1 Zn1 Pt2'
_cell_volume   57.58
_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  0.96  0.0  0.7  1.0
  Zn  Zn3  1  0.95  0.0  0.47  1.0
  Pt  Pt1  1  0.55  0.0  0.35  1.0
  Pt  Pt2  1  0.33  0.0  0.8  1.0

data_LiZnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.53
_cell_length_c   5.06
_cell_angle_alpha   110.78
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnPt2
_chemical_formula_sum   'Li1 Zn1 Pt2'
_cell_volume   57.58
_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  0.7  0.96  1.0
  Zn  Zn1  1  0.0  0.47  0.95  1.0
  Pt  Pt2  1  0.0  0.35  0.55  1.0
  Pt  Pt3  1  0.0  0.8  0.33  1.0

Li Zn Pt Pt