data_KTiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   136.55
_cell_angle_beta   136.55
_cell_angle_gamma   63.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiAg2
_chemical_formula_sum   'K1 Ti1 Ag2'
_cell_volume   91.98
_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  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.15  0.0  0.48  1.0
  Ag  Ag0  1  0.0  0.0  0.96  1.0
  Ag  Ag1  1  0.0  0.15  0.48  1.0

data_KTiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.82
_cell_angle_alpha   111.72
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiAg2
_chemical_formula_sum   'K1 Ti1 Ag2'
_cell_volume   91.98
_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
  Ti  Ti1  1  0.52  0.0  0.67  1.0
  Ag  Ag2  1  0.04  0.0  0.04  1.0
  Ag  Ag3  1  0.67  0.15  0.67  1.0

K Ti Ag Ag