data_LiLa2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   26.59
_cell_angle_beta   26.59
_cell_angle_gamma   26.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Os
_chemical_formula_sum   'Li1 La2 Os1'
_cell_volume   130.98
_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  Li2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.0  0.0  0.3  1.0
  La  La1  1  0.0  0.0  0.88  1.0
  Os  Os3  1  0.0  0.0  0.09  1.0

data_LiLa2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   4.16
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLa2Os
_chemical_formula_sum   'Li2 La4 Os2'
_cell_volume   261.95
_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  0.0  1.0
  La  La1  2  0.0  0.0  0.7  1.0
  La  La2  2  0.0  0.0  0.12  1.0
  Os  Os3  2  0.0  0.0  0.91  1.0

Li La La Os
Li La La Os 0 3 o o o 0 2 o o - 1 3 o o o 