data_LiReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.86
_cell_angle_alpha   95.6
_cell_angle_beta   95.6
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReOs2
_chemical_formula_sum   'Li1 Re1 Os2'
_cell_volume   55.91
_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
  Re  Re3  1  0.02  0.0  0.41  1.0
  Os  Os1  1  0.72  0.0  0.69  1.0
  Os  Os2  1  0.32  0.0  0.14  1.0

data_LiReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.48
_cell_length_c   4.86
_cell_angle_alpha   95.6
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReOs2
_chemical_formula_sum   'Li1 Re1 Os2'
_cell_volume   55.91
_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
  Re  Re1  1  0.0  0.98  0.59  1.0
  Os  Os2  1  0.0  0.28  0.31  1.0
  Os  Os3  1  0.0  0.68  0.86  1.0

Li Re Os Os