data_LiCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   33.17
_cell_angle_beta   33.17
_cell_angle_gamma   33.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrO2
_chemical_formula_sum   'Li1 Cr1 O2'
_cell_volume   36.77
_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
  Cr  Cr1  1  0.0  0.0  0.32  1.0
  O  O2  1  0.0  0.0  0.55  1.0
  O  O3  1  0.0  0.0  0.09  1.0

data_LiCrO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   109.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCrO2
_chemical_formula_sum   'Li2 Cr2 O4'
_cell_volume   73.55
_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
  Cr  Cr1  2  -0.0  0.0  0.68  1.0
  O  O2  2  -0.0  0.0  0.91  1.0
  O  O3  2  -0.0  0.0  0.45  1.0

Li Cr O O
Li Cr O O 0 3 o o o 1 3 o o o 1 2 o o o 