data_Ba5Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   10.28
_cell_length_c   10.28
_cell_angle_alpha   26.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Zn
_chemical_formula_sum   'Ba5 Zn1'
_cell_volume   313.02
_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  0.33  0.0  0.45  1.0
  Ba  Ba1  1  0.33  0.0  0.65  1.0
  Ba  Ba2  1  0.33  0.0  0.16  1.0
  Ba  Ba3  1  0.0  0.0  0.13  1.0
  Ba  Ba4  1  0.0  0.0  0.58  1.0
  Zn  Zn5  1  0.0  0.0  0.4  1.0

data_Ba5Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   6.65
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Zn
_chemical_formula_sum   'Ba5 Zn1'
_cell_volume   313.02
_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  0.35  0.33  0.35  1.0
  Ba  Ba1  1  0.42  0.0  0.42  1.0
  Ba  Ba2  1  0.55  0.33  0.55  1.0
  Ba  Ba3  1  0.84  0.33  0.84  1.0
  Ba  Ba4  1  0.87  0.0  0.87  1.0
  Zn  Zn5  1  0.6  0.0  0.6  1.0

Ba Ba Ba Ba Ba Zn