data_KZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   148.58
_cell_angle_beta   124.2
_cell_angle_gamma   65.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnGa2
_chemical_formula_sum   'K1 Zn1 Ga2'
_cell_volume   98.55
_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
  Zn  Zn3  1  0.0  0.0  0.16  1.0
  Ga  Ga0  1  0.66  0.0  0.02  1.0
  Ga  Ga1  1  0.0  0.87  0.15  1.0

data_KZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.74
_cell_length_c   6.14
_cell_angle_alpha   117.9
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnGa2
_chemical_formula_sum   'K1 Zn1 Ga2'
_cell_volume   98.55
_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
  Zn  Zn1  1  0.0  0.16  0.16  1.0
  Ga  Ga2  1  0.0  0.02  0.35  1.0
  Ga  Ga3  1  0.13  0.28  0.28  1.0

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