data_LiZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   158.92
_cell_angle_beta   158.92
_cell_angle_gamma   29.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnCr
_chemical_formula_sum   'Li1 Zn1 Cr1'
_cell_volume   39.19
_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  Li1  1  0.0  0.0  0.31  1.0
  Zn  Zn2  1  0.0  0.0  0.61  1.0
  Cr  Cr0  1  0.0  0.0  0.06  1.0

data_LiZnCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   104.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZnCr
_chemical_formula_sum   'Li2 Zn2 Cr2'
_cell_volume   78.37
_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  0.31  0.0  0.31  1.0
  Zn  Zn1  2  0.11  0.5  0.61  1.0
  Cr  Cr2  2  0.06  0.0  0.06  1.0

Li Zn Cr
Li Zn Cr 0 2 o o o 0 1 o o o 1 1 + o + 1 1 o + + 