data_LiCrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrBO3
_chemical_formula_sum   'Li3 Cr3 B3 O9'
_cell_volume   185.48
_cell_formula_units_Z   3
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  0.09  0.44  0.0  1.0
  Li  Li1  1  0.43  0.25  0.0  1.0
  Li  Li2  1  0.86  0.45  0.0  1.0
  Cr  Cr3  1  0.96  0.51  0.57  1.0
  Cr  Cr4  1  0.48  0.72  0.57  1.0
  Cr  Cr5  1  0.57  0.06  0.57  1.0
  B  B6  1  1.0  0.76  0.0  1.0
  B  B7  1  0.13  0.38  0.57  1.0
  B  B8  1  0.0  0.0  0.0  1.0
  O  O9  1  0.12  0.93  0.0  1.0
  O  O10  1  0.72  0.21  0.0  1.0
  O  O11  1  0.16  0.15  0.0  1.0
  O  O12  1  0.99  0.77  0.57  1.0
  O  O13  1  0.99  0.57  0.57  1.0
  O  O14  1  0.4  0.8  0.57  1.0
  O  O15  1  0.03  0.37  0.0  1.0
  O  O16  1  0.88  0.53  0.0  1.0
  O  O17  1  0.09  0.38  0.0  1.0

data_LiCrBO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrBO3
_chemical_formula_sum   'Li3 Cr3 B3 O9'
_cell_volume   185.48
_cell_formula_units_Z   3
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  0.09  0.44  1.0
  Li  Li1  1  0.0  0.43  0.25  1.0
  Li  Li2  1  0.0  0.86  0.45  1.0
  Cr  Cr3  1  0.57  0.48  0.72  1.0
  Cr  Cr4  1  0.57  0.57  0.06  1.0
  Cr  Cr5  1  0.57  0.96  0.51  1.0
  B  B6  1  0.0  0.0  0.0  1.0
  B  B7  1  0.0  1.0  0.76  1.0
  B  B8  1  0.57  0.13  0.38  1.0
  O  O9  1  0.0  0.16  0.15  1.0
  O  O10  1  0.0  0.03  0.37  1.0
  O  O11  1  0.0  0.88  0.53  1.0
  O  O12  1  0.0  0.72  0.21  1.0
  O  O13  1  0.0  0.09  0.38  1.0
  O  O14  1  0.0  0.12  0.93  1.0
  O  O15  1  0.57  0.4  0.8  1.0
  O  O16  1  0.57  0.99  0.57  1.0
  O  O17  1  0.57  0.99  0.77  1.0

Li Li Li Cr Cr Cr B B B O O O O O O O O O