# generated using pymatgen
data_Ba2HI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70424200
_cell_length_b   7.70424200
_cell_length_c   16.41000900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HI2
_chemical_formula_sum   'Ba2 H1 I2'
_cell_volume   974.02174228
_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  0.50000000  0.50000000  0.15084600  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.84915400  1.0
  H  H2  1  0.50000000  0.50000000  0.00000000  1.0
  I  I3  1  0.50000000  0.50000000  0.65823700  1.0
  I  I4  1  0.50000000  0.50000000  0.34176300  1.0