data_LiCrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.93
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrOs2
_chemical_formula_sum   'Li1 Cr1 Os2'
_cell_volume   52.2
_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  0.75  1.0
  Cr  Cr0  1  0.33  0.96  0.57  1.0
  Os  Os2  1  0.33  0.96  0.93  1.0
  Os  Os3  1  0.0  0.0  0.25  1.0

data_LiCrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.93
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrOs2
_chemical_formula_sum   'Li1 Cr1 Os2'
_cell_volume   52.2
_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  0.75  1.0
  Cr  Cr1  1  0.33  0.96  0.57  1.0
  Os  Os2  1  0.0  0.0  0.25  1.0
  Os  Os3  1  0.33  0.96  0.93  1.0

Li Cr Os Os