data_LiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   2.3
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr
_chemical_formula_sum   'Li2 Cr2'
_cell_volume   51.87
_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  Li2  1  0.06  0.0  0.71  1.0
  Li  Li3  1  0.17  0.0  0.63  1.0
  Cr  Cr0  1  0.06  0.15  0.24  1.0
  Cr  Cr1  1  0.17  0.15  0.1  1.0

data_LiCr
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.23
_cell_length_b   2.3
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LiCr
_chemical_formula_sum   'Li2 Cr2'
_cell_volume   51.87
_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  0.06  0.0  0.46  1.0
  Cr  Cr1  2  0.06  0.15  0.93  1.0

Li Li Cr Cr
Li Li Cr Cr 0 1 o o o 2 3 o o o 