data_Ba2ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   133.41
_cell_angle_beta   133.41
_cell_angle_gamma   68.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnGa
_chemical_formula_sum   'Ba2 Zn1 Ga1'
_cell_volume   131.56
_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
  Ba  Ba0  1  0.0  0.5  0.62  1.0
  Ba  Ba1  1  0.0  0.0  0.25  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.5  0.0  0.62  1.0

data_Ba2ZnGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.33
_cell_angle_alpha   113.3
_cell_angle_beta   113.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnGa
_chemical_formula_sum   'Ba2 Zn1 Ga1'
_cell_volume   131.56
_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
  Ba  Ba0  1  0.12  0.62  0.12  1.0
  Ba  Ba1  1  0.25  0.25  0.25  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.62  0.12  0.12  1.0

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