data_KCr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ag
_chemical_formula_sum   'K1 Cr2 Ag1'
_cell_volume   91.63
_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  K3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.57  0.64  0.54  1.0
  Cr  Cr2  1  0.57  0.36  0.54  1.0
  Ag  Ag0  1  0.14  0.0  0.0  1.0

data_KCr2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   112.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ag
_chemical_formula_sum   'K1 Cr2 Ag1'
_cell_volume   91.63
_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  K0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.54  0.57  0.36  1.0
  Cr  Cr2  1  0.54  0.57  0.64  1.0
  Ag  Ag3  1  -0.0  0.14  0.0  1.0

K Cr Cr Ag
K Cr Cr Ag 0 3 o o o 1 2 o o o 