data_LiRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   148.14
_cell_angle_beta   130.06
_cell_angle_gamma   60.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRu2Pt
_chemical_formula_sum   'Li1 Ru2 Pt1'
_cell_volume   55.05
_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
  Ru  Ru2  1  0.42  0.0  0.17  1.0
  Ru  Ru3  1  0.0  0.18  0.29  1.0
  Pt  Pt1  1  0.0  0.0  0.46  1.0

data_LiRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.36
_cell_length_c   5.16
_cell_angle_alpha   114.97
_cell_angle_beta   105.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRu2Pt
_chemical_formula_sum   'Li1 Ru2 Pt1'
_cell_volume   55.05
_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
  Ru  Ru1  1  0.0  0.17  0.75  1.0
  Ru  Ru2  1  0.82  0.11  0.11  1.0
  Pt  Pt3  1  0.0  0.46  0.46  1.0

Li Ru Ru Pt
Li Ru Ru Pt 0 2 o o o 0 1 o o o 2 3 o o o 