# generated using pymatgen
data_BaCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20601600
_cell_length_b   8.55358100
_cell_length_c   10.59336600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCl2O
_chemical_formula_sum   'Ba4 Cl8 O4'
_cell_volume   471.72343061
_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  0.38249700  0.68928300  1.0
  Ba  Ba1  1  0.25000000  0.11750300  0.18928300  1.0
  Ba  Ba2  1  0.75000000  0.61750300  0.31071700  1.0
  Ba  Ba3  1  0.75000000  0.88249700  0.81071700  1.0
  Cl  Cl4  1  0.25000000  0.40158700  0.38514800  1.0
  Cl  Cl5  1  0.25000000  0.09841300  0.88514800  1.0
  Cl  Cl6  1  0.75000000  0.59841300  0.61485200  1.0
  Cl  Cl7  1  0.75000000  0.90158700  0.11485200  1.0
  Cl  Cl8  1  0.25000000  0.83087100  0.38120800  1.0
  Cl  Cl9  1  0.25000000  0.66912900  0.88120800  1.0
  Cl  Cl10  1  0.75000000  0.16912900  0.61879200  1.0
  Cl  Cl11  1  0.75000000  0.33087100  0.11879200  1.0
  O  O12  1  0.25000000  0.87673100  0.72371400  1.0
  O  O13  1  0.25000000  0.62326900  0.22371400  1.0
  O  O14  1  0.75000000  0.12326900  0.27628600  1.0
  O  O15  1  0.75000000  0.37673100  0.77628600  1.0