data_Li3Cr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr5
_chemical_formula_sum   'Li3 Cr5'
_cell_volume   95.34
_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  Li5  1  0.0  0.0  0.0  1.0
  Li  Li6  1  0.8  0.0  0.43  1.0
  Li  Li7  1  0.92  0.0  0.43  1.0
  Cr  Cr0  1  0.86  0.0  0.0  1.0
  Cr  Cr1  1  0.93  0.17  0.0  1.0
  Cr  Cr2  1  0.93  0.83  0.0  1.0
  Cr  Cr3  1  0.86  0.91  0.43  1.0
  Cr  Cr4  1  0.86  0.09  0.43  1.0

data_Li3Cr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   96.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr5
_chemical_formula_sum   'Li3 Cr5'
_cell_volume   95.34
_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
  Li  Li1  1  0.43  0.8  0.0  1.0
  Li  Li2  1  0.43  0.92  0.0  1.0
  Cr  Cr3  1  -0.0  0.93  0.83  1.0
  Cr  Cr4  1  -0.0  0.93  0.17  1.0
  Cr  Cr5  1  0.0  0.86  0.0  1.0
  Cr  Cr6  1  0.43  0.86  0.09  1.0
  Cr  Cr7  1  0.43  0.86  0.91  1.0

Li Li Li Cr Cr Cr Cr Cr
Li Li Li Cr Cr Cr Cr Cr 0 3 - o o 0 4 - o o 0 5 - - o 1 6 o - o 1 7 o o o 1 2 o o o 2 6 o - o 2 7 o o o 3 4 o o o 3 5 o - o 