data_KBaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   44.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaZn2
_chemical_formula_sum   'K1 Ba1 Zn2'
_cell_volume   146.02
_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  0.92  1.0
  Ba  Ba0  1  0.33  0.0  0.3  1.0
  Zn  Zn2  1  0.33  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.68  1.0

data_KBaZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   5.06
_cell_length_c   6.69
_cell_angle_alpha   112.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaZn2
_chemical_formula_sum   'K1 Ba1 Zn2'
_cell_volume   146.02
_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  0.92  0.92  1.0
  Ba  Ba1  1  0.67  0.3  0.3  1.0
  Zn  Zn2  1  0.0  0.68  0.68  1.0
  Zn  Zn3  1  0.67  0.88  0.88  1.0

K Ba Zn Zn