data_LiSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   133.95
_cell_angle_beta   133.95
_cell_angle_gamma   67.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Ru
_chemical_formula_sum   'Li1 Si2 Ru1'
_cell_volume   50.0
_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
  Si  Si2  1  0.0  0.0  0.84  1.0
  Si  Si3  1  0.0  0.8  0.92  1.0
  Ru  Ru1  1  0.8  0.0  0.92  1.0

data_LiSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.61
_cell_angle_alpha   113.02
_cell_angle_beta   113.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Ru
_chemical_formula_sum   'Li1 Si2 Ru1'
_cell_volume   50.0
_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
  Si  Si1  1  0.16  0.0  0.16  1.0
  Si  Si2  1  0.88  0.8  0.88  1.0
  Ru  Ru3  1  0.08  0.0  0.88  1.0

Li Si Si Ru