data_LiZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   139.5
_cell_angle_beta   139.5
_cell_angle_gamma   58.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnCr2
_chemical_formula_sum   'Li1 Zn1 Cr2'
_cell_volume   48.06
_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  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.24  1.0
  Cr  Cr0  1  0.0  0.68  0.12  1.0
  Cr  Cr1  1  0.68  0.0  0.12  1.0

data_LiZnCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   119.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZnCr2
_chemical_formula_sum   'Li2 Zn2 Cr4'
_cell_volume   96.13
_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  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.76  1.0
  Cr  Cr2  4  0.34  0.34  0.56  1.0

Li Zn Cr Cr
Li Zn Cr Cr 0 1 o o o 1 3 - o o 1 2 o - o 