data_LiY2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Os
_chemical_formula_sum   'Li1 Y2 Os1'
_cell_volume   88.74
_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  0.1  1.0
  Y  Y2  1  0.0  0.0  0.79  1.0
  Y  Y3  1  0.74  0.74  0.39  1.0
  Os  Os1  1  0.74  0.74  0.12  1.0

data_LiY2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiY2Os
_chemical_formula_sum   'Li2 Y4 Os2'
_cell_volume   177.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.1  1.0
  Y  Y1  2  0.0  0.0  0.79  1.0
  Y  Y2  2  0.24  0.5  0.39  1.0
  Os  Os3  2  0.24  0.5  0.12  1.0

Li Y Y Os
Li Y Y Os 0 3 - - o 0 1 o o - 1 3 - - + 2 3 o o o 