data_Li2RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   141.56
_cell_angle_beta   132.51
_cell_angle_gamma   62.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuSe
_chemical_formula_sum   'Li2 Ru1 Se1'
_cell_volume   56.14
_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  0.01  0.2  1.0
  Li  Li1  1  0.64  0.0  0.06  1.0
  Ru  Ru2  1  0.0  0.0  0.26  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Li2RuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.02
_cell_length_c   4.99
_cell_angle_alpha   113.75
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuSe
_chemical_formula_sum   'Li2 Ru1 Se1'
_cell_volume   56.14
_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  0.06  0.42  1.0
  Li  Li1  1  0.99  0.19  0.19  1.0
  Ru  Ru2  1  0.0  0.26  0.26  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Li Li Ru Se