data_LiMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.68
_cell_angle_alpha   98.24
_cell_angle_beta   98.24
_cell_angle_gamma   32.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoRu2
_chemical_formula_sum   'Li1 Mo1 Ru2'
_cell_volume   57.32
_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  0.19  0.0  0.27  1.0
  Mo  Mo1  1  0.86  0.0  0.51  1.0
  Ru  Ru2  1  0.39  0.0  0.62  1.0
  Ru  Ru3  1  0.6  0.0  0.17  1.0

data_LiMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.68
_cell_length_c   4.79
_cell_angle_alpha   98.24
_cell_angle_beta   106.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoRu2
_chemical_formula_sum   'Li1 Mo1 Ru2'
_cell_volume   57.32
_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  0.27  0.19  1.0
  Mo  Mo1  1  0.0  0.51  0.86  1.0
  Ru  Ru2  1  0.0  0.17  0.6  1.0
  Ru  Ru3  1  0.0  0.62  0.39  1.0

Li Mo Ru Ru