data_KLiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.67
_cell_angle_alpha   94.24
_cell_angle_beta   94.24
_cell_angle_gamma   34.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiCo2
_chemical_formula_sum   'K1 Li1 Co2'
_cell_volume   85.61
_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  K2  1  0.28  0.0  0.33  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.91  0.0  0.82  1.0
  Co  Co1  1  0.66  0.0  0.83  1.0

data_KLiCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.76
_cell_length_c   6.67
_cell_angle_alpha   94.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiCo2
_chemical_formula_sum   'K1 Li1 Co2'
_cell_volume   85.61
_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  0.72  0.67  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.09  0.18  1.0
  Co  Co3  1  0.0  0.34  0.17  1.0

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