data_KLa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   5.44
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Zn
_chemical_formula_sum   'K1 La2 Zn1'
_cell_volume   139.64
_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  0.09  0.72  0.15  1.0
  La  La2  1  0.01  0.72  0.9  1.0
  Zn  Zn3  1  0.05  0.0  0.52  1.0

data_KLa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.44
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Zn
_chemical_formula_sum   'K1 La2 Zn1'
_cell_volume   139.64
_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  0.01  0.72  0.9  1.0
  La  La2  1  0.09  0.72  0.15  1.0
  Zn  Zn3  1  0.05  0.0  0.52  1.0

K La La Zn
K La La Zn 0 2 o - - 0 1 o - o 0 3 o o o 0 3 o o - 1 2 o o - 1 3 o + o 2 3 o + o 3 3 + o o 