data_LiZn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.99
_cell_angle_alpha   95.32
_cell_angle_beta   95.32
_cell_angle_gamma   32.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Ru
_chemical_formula_sum   'Li1 Zn2 Ru1'
_cell_volume   55.95
_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
  Zn  Zn2  1  0.55  0.0  0.26  1.0
  Zn  Zn3  1  0.82  0.0  0.71  1.0
  Ru  Ru1  1  0.18  0.0  0.48  1.0

data_LiZn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.6
_cell_length_c   4.99
_cell_angle_alpha   95.32
_cell_angle_beta   90.0
_cell_angle_gamma   106.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Ru
_chemical_formula_sum   'Li1 Zn2 Ru1'
_cell_volume   55.95
_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
  Zn  Zn1  1  0.0  0.18  0.29  1.0
  Zn  Zn2  1  0.0  0.45  0.74  1.0
  Ru  Ru3  1  0.0  0.82  0.52  1.0

Li Zn Zn Ru
Li Zn Zn Ru 0 2 - o - 0 1 o o o 0 1 - o o 0 3 o o o 1 3 o o o 1 1 + - o 1 2 o o o 2 3 + o o 3 3 + - o 