data_LiCrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   146.25
_cell_angle_beta   123.97
_cell_angle_gamma   67.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrOs
_chemical_formula_sum   'Li1 Cr1 Os1'
_cell_volume   37.81
_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  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.28  1.0
  Os  Os2  1  0.0  0.0  0.87  1.0

data_LiCrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   4.1
_cell_length_c   4.36
_cell_angle_alpha   118.01
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrOs
_chemical_formula_sum   'Li1 Cr1 Os1'
_cell_volume   37.81
_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  0.41  0.41  1.0
  Cr  Cr1  1  0.0  0.28  0.28  1.0
  Os  Os2  1  0.0  0.87  0.87  1.0

Li Cr Os
Li Cr Os 0 1 o o o 0 2 o o o 1 2 o o - 