data_KLa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.11
_cell_angle_alpha   108.33
_cell_angle_beta   108.33
_cell_angle_gamma   31.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ag
_chemical_formula_sum   'K1 La2 Ag1'
_cell_volume   138.46
_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
  La  La2  1  0.45  0.0  0.05  1.0
  La  La3  1  0.64  0.0  0.73  1.0
  Ag  Ag0  1  0.55  0.0  0.89  1.0

data_KLa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.11
_cell_length_c   6.79
_cell_angle_alpha   108.33
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ag
_chemical_formula_sum   'K1 La2 Ag1'
_cell_volume   138.46
_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
  La  La1  1  0.0  0.05  0.45  1.0
  La  La2  1  0.0  0.73  0.64  1.0
  Ag  Ag3  1  0.0  0.89  0.55  1.0

K La La Ag
K La La Ag 0 2 - o - 0 3 - o - 0 1 o o o 1 3 o o - 2 3 o o o 