# generated using pymatgen
data_Ba
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85034682
_cell_length_b   5.85034682
_cell_length_c   6.57850500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.99317302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba
_chemical_formula_sum   Ba4
_cell_volume   217.49439753
_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  0.35584400  0.14415600  0.25000000  1.0
  Ba  Ba1  1  0.64415600  0.85584400  0.75000000  1.0
  Ba  Ba2  1  0.98655100  0.51344900  0.25000000  1.0
  Ba  Ba3  1  0.01344900  0.48655100  0.75000000  1.0