# generated using pymatgen
data_BaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21516511
_cell_length_b   5.21516330
_cell_length_c   5.21516398
_cell_angle_alpha   59.99999568
_cell_angle_beta   60.00000719
_cell_angle_gamma   59.99998955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCl2
_chemical_formula_sum   'Ba1 Cl2'
_cell_volume   100.29722571
_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  -0.00000000  -0.00000000  -0.00000000  1.0
  Cl  Cl1  1  0.75000000  0.75000000  0.75000000  1.0
  Cl  Cl2  1  0.25000000  0.25000000  0.25000000  1.0