data_Li2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   4.47
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuOs
_chemical_formula_sum   'Li2 Cu1 Os1'
_cell_volume   52.59
_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  Li1  1  0.98  0.23  0.25  1.0
  Li  Li2  1  0.27  0.23  0.5  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.12  0.0  0.37  1.0

data_Li2CuOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   4.47
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuOs
_chemical_formula_sum   'Li2 Cu1 Os1'
_cell_volume   52.59
_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  0.27  0.23  0.5  1.0
  Li  Li1  1  0.98  0.23  0.25  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.12  0.0  0.37  1.0

Li Li Cu Os
Li Li Cu Os 0 3 + o o 0 1 + o o 0 2 + o o 1 3 o o o 2 3 o o o 