data_LiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.25
_cell_length_b   4.19
_cell_length_c   5.44
_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   51.3
_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  0.0  0.0  0.6  1.0
  Li  Li3  1  0.12  0.1  0.84  1.0
  Cr  Cr0  1  0.12  0.0  0.2  1.0
  Cr  Cr1  1  0.0  0.1  0.24  1.0

data_LiCr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.25
_cell_length_b   4.19
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiCr
_chemical_formula_sum   'Li2 Cr2'
_cell_volume   51.3
_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  0.05  0.62  1.0
  Cr  Cr1  2  0.06  0.95  0.98  1.0

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