data_BaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   131.98
_cell_angle_beta   97.81
_cell_angle_gamma   101.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2
_chemical_formula_sum   'Ba2 Zn4'
_cell_volume   161.77
_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  0.52  0.04  0.55  1.0
  Ba  Ba1  1  0.0  0.04  0.38  1.0
  Zn  Zn2  1  0.52  0.44  0.67  1.0
  Zn  Zn3  1  0.0  0.63  0.26  1.0
  Zn  Zn4  1  0.0  0.44  0.26  1.0
  Zn  Zn5  1  0.52  0.63  0.67  1.0

data_BaZn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.05
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   78.74
_cell_angle_beta   65.99
_cell_angle_gamma   65.99
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaZn2
_chemical_formula_sum   'Ba2 Zn4'
_cell_volume   161.77
_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  0.42  0.26  0.08  1.0
  Zn  Zn1  2  0.29  0.26  0.8  1.0
  Zn  Zn2  2  0.29  0.26  0.61  1.0

Ba Ba Zn Zn Zn Zn