data_LiCr3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.18
_cell_angle_alpha   95.93
_cell_angle_beta   95.93
_cell_angle_gamma   103.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr3O4
_chemical_formula_sum   'Li1 Cr3 O4'
_cell_volume   86.5
_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  0.39  0.09  0.57  1.0
  Cr  Cr2  1  0.31  0.0  0.0  1.0
  Cr  Cr3  1  0.39  0.91  0.57  1.0
  O  O4  1  0.68  0.0  0.38  1.0
  O  O5  1  0.31  0.96  0.0  1.0
  O  O6  1  0.31  0.04  0.0  1.0
  O  O7  1  0.41  0.0  0.76  1.0

data_LiCr3O4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   103.24
_cell_angle_beta   95.93
_cell_angle_gamma   95.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr3O4
_chemical_formula_sum   'Li1 Cr3 O4'
_cell_volume   86.5
_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  0.31  0.0  1.0
  Cr  Cr2  1  0.57  0.39  0.09  1.0
  Cr  Cr3  1  0.57  0.39  0.91  1.0
  O  O4  1  -0.0  0.31  0.04  1.0
  O  O5  1  -0.0  0.31  0.96  1.0
  O  O6  1  0.38  0.68  0.0  1.0
  O  O7  1  0.76  0.41  0.0  1.0

Li Cr Cr Cr O O O O