data_Li2MgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   131.04
_cell_angle_beta   131.04
_cell_angle_gamma   71.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgRu
_chemical_formula_sum   'Li2 Mg1 Ru1'
_cell_volume   59.5
_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
  Li  Li1  1  0.97  0.0  0.92  1.0
  Mg  Mg2  1  0.0  0.0  0.85  1.0
  Ru  Ru3  1  0.0  0.97  0.92  1.0

data_Li2MgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.75
_cell_angle_alpha   114.48
_cell_angle_beta   114.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgRu
_chemical_formula_sum   'Li2 Mg1 Ru1'
_cell_volume   59.5
_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
  Li  Li1  1  0.08  0.0  0.04  1.0
  Mg  Mg2  1  0.15  0.0  0.15  1.0
  Ru  Ru3  1  0.04  0.97  0.04  1.0

Li Li Mg Ru