data_KLi2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.29
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Cr
_chemical_formula_sum   'K1 Li2 Cr1'
_cell_volume   110.57
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.62  0.14  0.65  1.0
  Li  Li3  1  0.62  0.14  0.3  1.0
  Cr  Cr0  1  0.0  0.0  0.98  1.0

data_KLi2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.29
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Cr
_chemical_formula_sum   'K1 Li2 Cr1'
_cell_volume   110.57
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.62  0.14  0.3  1.0
  Li  Li2  1  0.62  0.14  0.65  1.0
  Cr  Cr3  1  0.0  0.0  0.98  1.0

K Li Li Cr
K Li Li Cr 0 3 o o - 0 1 o o - 0 1 - o - 0 2 o o o 0 2 - o o 1 3 o o o 1 3 + o o 1 1 + o o 1 2 o o o 2 3 o o - 2 3 + o - 2 2 + o o 