data_KMn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.9
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Ag
_chemical_formula_sum   'K1 Mn2 Ag1'
_cell_volume   96.46
_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  0.0  1.0
  Mn  Mn2  1  0.53  0.95  0.73  1.0
  Mn  Mn3  1  0.53  0.95  0.39  1.0
  Ag  Ag0  1  0.0  0.0  0.06  1.0

data_KMn2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.9
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Ag
_chemical_formula_sum   'K1 Mn2 Ag1'
_cell_volume   96.46
_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
  Mn  Mn1  1  0.53  0.95  0.39  1.0
  Mn  Mn2  1  0.53  0.95  0.73  1.0
  Ag  Ag3  1  0.0  0.0  0.06  1.0

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