data_Ba3Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Cl5
_chemical_formula_sum   'Ba3 Cl5'
_cell_volume   262.96
_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  0.0  1.0
  Ba  Ba1  1  0.33  0.76  0.42  1.0
  Ba  Ba2  1  0.33  0.24  0.42  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0
  Cl  Cl4  1  0.17  0.14  0.0  1.0
  Cl  Cl5  1  0.17  0.86  0.0  1.0
  Cl  Cl6  1  0.45  0.0  0.42  1.0
  Cl  Cl7  1  0.22  0.0  0.42  1.0

data_Ba3Cl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   110.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Cl5
_chemical_formula_sum   'Ba3 Cl5'
_cell_volume   262.96
_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  0.33  0.0  1.0
  Ba  Ba1  1  0.42  0.33  0.24  1.0
  Ba  Ba2  1  0.42  0.33  0.76  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0
  Cl  Cl4  1  0.0  0.17  0.14  1.0
  Cl  Cl5  1  0.0  0.17  0.86  1.0
  Cl  Cl6  1  0.42  0.22  0.0  1.0
  Cl  Cl7  1  0.42  0.45  0.0  1.0

Ba Ba Ba Cl Cl Cl Cl Cl