data_KZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.0
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnCr2
_chemical_formula_sum   'K1 Zn1 Cr2'
_cell_volume   74.35
_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  0.78  0.0  0.16  1.0
  Zn  Zn3  1  0.4  0.5  0.42  1.0
  Cr  Cr0  1  0.38  0.0  0.03  1.0
  Cr  Cr1  1  0.15  0.5  0.98  1.0

data_KZnCr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.01
_cell_length_b   3.0
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KZnCr2
_chemical_formula_sum   'K1 Zn1 Cr2'
_cell_volume   74.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.78  0.0  0.16  1.0
  Zn  Zn1  1  0.4  0.5  0.42  1.0
  Cr  Cr2  1  0.15  0.5  0.98  1.0
  Cr  Cr3  1  0.38  0.0  0.03  1.0

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