data_Li2MnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.34
_cell_angle_alpha   98.82
_cell_angle_beta   98.82
_cell_angle_gamma   30.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnRu
_chemical_formula_sum   'Li2 Mn1 Ru1'
_cell_volume   50.92
_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  0.81  0.0  0.21  1.0
  Li  Li1  1  0.79  0.0  0.07  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.3  0.0  0.14  1.0

data_Li2MnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.34
_cell_length_c   4.82
_cell_angle_alpha   98.82
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnRu
_chemical_formula_sum   'Li2 Mn1 Ru1'
_cell_volume   50.92
_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  0.07  0.79  1.0
  Li  Li1  1  0.0  0.21  0.81  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.14  0.3  1.0

Li Li Mn Ru