data_Li3Cr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   59.72
_cell_angle_beta   59.72
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr4O8
_chemical_formula_sum   'Li3 Cr4 O8'
_cell_volume   147.12
_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  0.52  0.85  0.43  1.0
  Li  Li1  1  0.0  0.29  0.43  1.0
  Li  Li2  1  0.48  0.85  0.43  1.0
  Cr  Cr3  1  0.52  0.15  0.86  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.0  0.71  0.86  1.0
  Cr  Cr6  1  0.48  0.15  0.86  1.0
  O  O7  1  0.54  0.89  0.9  1.0
  O  O8  1  0.0  0.0  0.8  1.0
  O  O9  1  0.0  0.22  0.9  1.0
  O  O10  1  0.46  0.89  0.9  1.0
  O  O11  1  0.54  0.11  0.68  1.0
  O  O12  1  0.0  0.78  0.68  1.0
  O  O13  1  0.0  0.0  0.77  1.0
  O  O14  1  0.46  0.11  0.68  1.0

data_Li3Cr4O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.94
_cell_angle_alpha   60.14
_cell_angle_beta   60.14
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr4O8
_chemical_formula_sum   'Li3 Cr4 O8'
_cell_volume   147.12
_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  0.15  0.57  0.76  1.0
  Li  Li1  1  0.15  0.57  0.8  1.0
  Li  Li2  1  0.71  0.57  0.72  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cr  Cr4  1  0.29  0.14  0.57  1.0
  Cr  Cr5  1  0.85  0.14  0.48  1.0
  Cr  Cr6  1  0.85  0.14  0.53  1.0
  O  O7  1  0.0  0.2  0.8  1.0
  O  O8  1  0.0  0.23  0.77  1.0
  O  O9  1  0.11  0.1  0.32  1.0
  O  O10  1  0.11  0.1  0.25  1.0
  O  O11  1  0.22  0.32  0.45  1.0
  O  O12  1  0.78  0.1  0.12  1.0
  O  O13  1  0.89  0.32  0.25  1.0
  O  O14  1  0.89  0.32  0.33  1.0

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