data_LiRuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   5.14
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   94.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuSe2
_chemical_formula_sum   'Li1 Ru1 Se2'
_cell_volume   67.73
_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  0.02  0.0  0.4  1.0
  Ru  Ru1  1  0.7  0.57  0.69  1.0
  Se  Se2  1  0.68  0.0  0.31  1.0
  Se  Se3  1  0.81  0.57  1.0  1.0

data_LiRuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.28
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuSe2
_chemical_formula_sum   'Li1 Ru1 Se2'
_cell_volume   67.73
_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  0.98  0.6  0.0  1.0
  Ru  Ru1  1  0.3  0.31  0.43  1.0
  Se  Se2  1  0.19  0.0  0.43  1.0
  Se  Se3  1  0.32  0.69  0.0  1.0

Li Ru Se Se