data_KCo2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Ag
_chemical_formula_sum   'K1 Co2 Ag1'
_cell_volume   72.03
_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
  Co  Co1  1  0.68  0.0  0.08  1.0
  Co  Co2  1  0.68  0.0  0.8  1.0
  Ag  Ag0  1  0.0  0.0  0.94  1.0

data_KCo2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Ag
_chemical_formula_sum   'K1 Co2 Ag1'
_cell_volume   72.03
_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
  Co  Co1  1  0.68  0.0  0.08  1.0
  Co  Co2  1  0.68  0.0  0.8  1.0
  Ag  Ag3  1  0.0  0.0  0.94  1.0

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