data_LiCuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuOs
_chemical_formula_sum   'Li1 Cu1 Os1'
_cell_volume   40.49
_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  0.0  0.0  0.22  1.0
  Cu  Cu0  1  1.0  0.52  0.72  1.0
  Os  Os2  1  0.32  0.76  0.51  1.0

data_LiCuOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuOs
_chemical_formula_sum   'Li1 Cu1 Os1'
_cell_volume   40.49
_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  0.22  1.0
  Cu  Cu1  1  1.0  0.52  0.72  1.0
  Os  Os2  1  0.32  0.76  0.51  1.0

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