data_K2CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.03
_cell_length_b   12.03
_cell_length_c   12.03
_cell_angle_alpha   17.25
_cell_angle_beta   17.25
_cell_angle_gamma   17.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrSb
_chemical_formula_sum   'K2 Cr1 Sb1'
_cell_volume   133.67
_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  K1  1  0.0  0.0  0.77  1.0
  K  K2  1  0.0  0.0  0.79  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.78  1.0

data_K2CrSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.25
_cell_length_b   3.61
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2CrSb
_chemical_formula_sum   'K4 Cr2 Sb2'
_cell_volume   267.35
_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
  K  K0  2  0.0  0.0  0.21  1.0
  K  K1  2  0.0  0.0  0.23  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.22  1.0

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