data_Li2RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   136.6
_cell_angle_beta   129.96
_cell_angle_gamma   68.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuSe
_chemical_formula_sum   'Li2 Ru1 Se1'
_cell_volume   54.17
_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  0.99  0.88  1.0
  Li  Li1  1  0.0  0.0  0.91  1.0
  Ru  Ru2  1  0.0  0.99  0.08  1.0
  Se  Se3  1  0.0  0.0  0.83  1.0

data_Li2RuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.99
_cell_length_c   4.71
_cell_angle_alpha   115.02
_cell_angle_beta   111.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuSe
_chemical_formula_sum   'Li2 Ru1 Se1'
_cell_volume   54.17
_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  0.91  0.91  1.0
  Li  Li1  1  0.01  0.88  0.88  1.0
  Ru  Ru2  1  0.01  0.09  0.09  1.0
  Se  Se3  1  0.0  0.83  0.83  1.0

Li Li Ru Se