data_BaZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn5
_chemical_formula_sum   'Ba1 Zn5'
_cell_volume   134.57
_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  0.77  0.0  0.32  1.0
  Zn  Zn1  1  0.77  0.59  0.0  1.0
  Zn  Zn2  1  0.77  0.53  0.32  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Zn  Zn4  1  0.77  0.47  0.32  1.0
  Zn  Zn5  1  0.77  0.41  0.0  1.0

data_BaZn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   5.54
_cell_length_c   5.92
_cell_angle_alpha   117.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn5
_chemical_formula_sum   'Ba1 Zn5'
_cell_volume   134.57
_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  0.32  0.0  0.77  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.41  0.18  1.0
  Zn  Zn3  1  0.0  0.59  0.36  1.0
  Zn  Zn4  1  0.32  0.47  0.25  1.0
  Zn  Zn5  1  0.32  0.53  0.3  1.0

Ba Zn Zn Zn Zn Zn