data_LiAgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   149.51
_cell_angle_beta   129.07
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgPt2
_chemical_formula_sum   'Li1 Ag1 Pt2'
_cell_volume   61.24
_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  Li1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.66  1.0
  Pt  Pt2  1  0.42  0.0  0.21  1.0
  Pt  Pt3  1  0.0  0.32  0.44  1.0

data_LiAgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.64
_cell_length_c   5.39
_cell_angle_alpha   115.46
_cell_angle_beta   105.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgPt2
_chemical_formula_sum   'Li1 Ag1 Pt2'
_cell_volume   61.24
_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
  Ag  Ag1  1  0.0  0.66  0.66  1.0
  Pt  Pt2  1  0.0  0.21  0.8  1.0
  Pt  Pt3  1  0.68  0.12  0.12  1.0

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