# generated using pymatgen
data_Ba
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62615015
_cell_length_b   4.63030743
_cell_length_c   7.29467849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97031255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba
_chemical_formula_sum   Ba2
_cell_volume   135.36181846
_cell_formula_units_Z   2
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  0.83290564  0.16581228  0.75000000  1.0
  Ba  Ba1  1  0.16709436  0.83418772  0.25000000  1.0