data_LiZnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71
_cell_length_b   8.71
_cell_length_c   8.71
_cell_angle_alpha   16.92
_cell_angle_beta   16.92
_cell_angle_gamma   16.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnCo2
_chemical_formula_sum   'Li1 Zn1 Co2'
_cell_volume   48.88
_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  Li2  1  0.0  0.0  0.8  1.0
  Zn  Zn3  1  0.0  0.0  0.53  1.0
  Co  Co0  1  0.0  0.0  0.11  1.0
  Co  Co1  1  0.0  0.0  0.21  1.0

data_LiZnCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   2.56
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZnCo2
_chemical_formula_sum   'Li2 Zn2 Co4'
_cell_volume   97.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.2  1.0
  Zn  Zn1  2  0.0  0.0  0.47  1.0
  Co  Co2  2  0.0  0.0  0.79  1.0
  Co  Co3  2  0.0  0.0  0.89  1.0

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