# generated using pymatgen
data_BaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77139779
_cell_length_b   7.91774573
_cell_length_c   9.52417321
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCl2
_chemical_formula_sum   'Ba4 Cl8'
_cell_volume   359.81102034
_cell_formula_units_Z   4
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  0.25000000  0.74867182  0.38297222  1.0
  Ba  Ba1  1  0.75000000  0.25132818  0.61702778  1.0
  Ba  Ba2  1  0.25000000  0.24867182  0.11702778  1.0
  Ba  Ba3  1  0.75000000  0.75132818  0.88297222  1.0
  Cl  Cl4  1  0.25000000  0.52838745  0.67083367  1.0
  Cl  Cl5  1  0.75000000  0.47161255  0.32916633  1.0
  Cl  Cl6  1  0.25000000  0.02838745  0.82916633  1.0
  Cl  Cl7  1  0.75000000  0.97161255  0.17083367  1.0
  Cl  Cl8  1  0.75000000  0.85632718  0.57044650  1.0
  Cl  Cl9  1  0.25000000  0.14367282  0.42955350  1.0
  Cl  Cl10  1  0.75000000  0.35632718  0.92955350  1.0
  Cl  Cl11  1  0.25000000  0.64367282  0.07044650  1.0