data_KAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.54
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   27.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAg2Mo
_chemical_formula_sum   'K1 Ag2 Mo1'
_cell_volume   83.71
_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  K2  1  0.93  0.0  0.35  1.0
  Ag  Ag0  1  0.99  0.0  0.08  1.0
  Ag  Ag1  1  0.87  0.0  0.57  1.0
  Mo  Mo3  1  0.02  0.0  0.47  1.0

data_KAg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.54
_cell_length_c   5.83
_cell_angle_alpha   102.87
_cell_angle_beta   103.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAg2Mo
_chemical_formula_sum   'K1 Ag2 Mo1'
_cell_volume   83.71
_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  0.35  0.93  1.0
  Ag  Ag1  1  0.0  0.08  0.99  1.0
  Ag  Ag2  1  0.0  0.57  0.87  1.0
  Mo  Mo3  1  0.0  0.47  0.02  1.0

K Ag Ag Mo
K Ag Ag Mo 0 3 + o o 0 1 o o o 0 2 o o o 2 3 + o o 