data_LiOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   122.06
_cell_angle_beta   118.4
_cell_angle_gamma   89.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOsSe2
_chemical_formula_sum   'Li1 Os1 Se2'
_cell_volume   62.81
_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
  Os  Os1  1  0.0  0.0  0.17  1.0
  Se  Se2  1  0.16  0.0  0.62  1.0
  Se  Se3  1  0.0  0.29  0.55  1.0

data_LiOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   61.6
_cell_angle_beta   61.03
_cell_angle_gamma   61.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOsSe2
_chemical_formula_sum   'Li1 Os1 Se2'
_cell_volume   62.81
_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
  Os  Os1  1  0.0  0.0  0.17  1.0
  Se  Se2  1  0.0  0.84  0.62  1.0
  Se  Se3  1  0.29  0.0  0.27  1.0

Li Os Se Se