data_BaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   5.83
_cell_angle_alpha   102.74
_cell_angle_beta   102.74
_cell_angle_gamma   37.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn
_chemical_formula_sum   'Ba2 Zn2'
_cell_volume   142.01
_cell_formula_units_Z   2
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  0.24  0.0  0.52  1.0
  Ba  Ba1  1  0.47  0.0  0.14  1.0
  Zn  Zn2  1  0.56  0.0  0.74  1.0
  Zn  Zn3  1  0.16  0.0  0.93  1.0

data_BaZn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   5.83
_cell_length_c   6.38
_cell_angle_alpha   102.74
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaZn
_chemical_formula_sum   'Ba2 Zn2'
_cell_volume   142.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.19  0.89  1.0
  Zn  Zn1  2  0.0  0.4  0.2  1.0

Ba Ba Zn Zn