data_K4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   94.29
_cell_angle_beta   94.29
_cell_angle_gamma   148.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Ag
_chemical_formula_sum   'K4 Ag1'
_cell_volume   275.55
_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  0.93  0.75  0.0  1.0
  K  K2  1  0.75  0.18  0.0  1.0
  K  K3  1  0.62  0.8  0.23  1.0
  K  K4  1  0.8  0.38  0.23  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_K4Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   85.71
_cell_angle_beta   74.12
_cell_angle_gamma   74.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Ag
_chemical_formula_sum   'K4 Ag1'
_cell_volume   275.55
_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  0.18  0.58  0.0  1.0
  K  K1  1  0.38  0.42  0.77  1.0
  K  K2  1  0.75  0.18  0.0  1.0
  K  K3  1  0.8  0.82  0.77  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0

K K K K Ag
K K K K Ag 0 4 + + o 0 2 o o o 1 3 o o o 1 2 o - o 2 3 o + o 2 4 o o o 2 4 + + o 