data_Li4CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   7.92
_cell_angle_alpha   96.48
_cell_angle_beta   96.48
_cell_angle_gamma   67.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CrO5
_chemical_formula_sum   'Li8 Cr2 O10'
_cell_volume   200.19
_cell_formula_units_Z   2
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  0.05  0.96  0.08  1.0
  Li  Li1  1  0.58  0.04  0.16  1.0
  Li  Li2  1  0.85  0.99  0.36  1.0
  Li  Li3  1  0.38  0.01  0.44  1.0
  Li  Li4  1  0.3  0.99  0.41  1.0
  Li  Li5  1  0.84  0.01  0.49  1.0
  Li  Li6  1  0.1  0.96  0.68  1.0
  Li  Li7  1  0.64  0.04  0.76  1.0
  Cr  Cr8  1  0.57  0.92  0.88  1.0
  Cr  Cr9  1  0.11  0.08  0.96  1.0
  O  O10  1  0.89  0.0  0.17  1.0
  O  O11  1  0.42  1.0  0.25  1.0
  O  O12  1  0.99  0.04  0.49  1.0
  O  O13  1  0.52  0.96  0.57  1.0
  O  O14  1  0.57  0.84  0.88  1.0
  O  O15  1  0.11  0.16  0.96  1.0
  O  O16  1  0.16  0.04  0.27  1.0
  O  O17  1  0.7  0.96  0.35  1.0
  O  O18  1  0.26  0.0  0.59  1.0
  O  O19  1  0.8  1.0  0.67  1.0

data_Li4CrO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   7.92
_cell_angle_alpha   83.52
_cell_angle_beta   83.52
_cell_angle_gamma   67.32
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li4CrO5
_chemical_formula_sum   'Li8 Cr2 O10'
_cell_volume   200.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.01  0.99  0.06  1.0
  Li  Li1  2  0.21  0.96  0.34  1.0
  Li  Li2  2  0.26  0.96  0.74  1.0
  Li  Li3  2  0.46  0.99  0.01  1.0
  Cr  Cr4  2  0.27  0.08  0.46  1.0
  O  O5  2  0.04  0.0  0.25  1.0
  O  O6  2  0.15  0.04  0.93  1.0
  O  O7  2  0.27  0.16  0.46  1.0
  O  O8  2  0.32  0.04  0.15  1.0
  O  O9  2  0.42  0.0  0.83  1.0

Li Li Li Li Li Li Li Li Cr Cr O O O O O O O O O O