data_KAgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgB2
_chemical_formula_sum   'K1 Ag1 B2'
_cell_volume   67.77
_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
  Ag  Ag0  1  0.01  0.0  0.0  1.0
  B  B1  1  0.51  0.95  0.37  1.0
  B  B2  1  0.51  0.05  0.37  1.0

data_KAgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   107.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgB2
_chemical_formula_sum   'K1 Ag1 B2'
_cell_volume   67.77
_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
  Ag  Ag1  1  0.0  0.01  0.0  1.0
  B  B2  1  0.37  0.51  0.05  1.0
  B  B3  1  0.37  0.51  0.95  1.0

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