data_K2ZrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   7.59
_cell_angle_alpha   154.7
_cell_angle_beta   128.95
_cell_angle_gamma   57.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrGa
_chemical_formula_sum   'K2 Zr1 Ga1'
_cell_volume   144.33
_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  0.27  0.05  1.0
  K  K2  1  0.0  0.0  0.43  1.0
  Zr  Zr3  1  0.0  0.27  0.84  1.0
  Ga  Ga0  1  0.0  0.0  0.61  1.0

data_K2ZrGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   6.54
_cell_length_c   7.59
_cell_angle_alpha   115.52
_cell_angle_beta   102.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrGa
_chemical_formula_sum   'K2 Zr1 Ga1'
_cell_volume   144.33
_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  0.43  0.43  1.0
  K  K1  1  0.73  0.78  0.78  1.0
  Zr  Zr2  1  0.73  0.57  0.57  1.0
  Ga  Ga3  1  0.0  0.61  0.61  1.0

K K Zr Ga
K K Zr Ga 0 3 o o - 0 2 o o - 1 2 o o o 1 3 o o o 2 3 o o o 