# generated using pymatgen
data_Ba
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57167780
_cell_length_b   4.57167925
_cell_length_c   4.57167799
_cell_angle_alpha   60.00001737
_cell_angle_beta   60.00000687
_cell_angle_gamma   60.00000558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba
_chemical_formula_sum   Ba1
_cell_volume   67.56349393
_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