# generated using pymatgen
data_KBa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08014591
_cell_length_b   9.08014591
_cell_length_c   7.45221200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBa3
_chemical_formula_sum   'K2 Ba6'
_cell_volume   532.11008515
_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
  K  K0  1  0.66666700  0.33333300  0.25000000  1.0
  K  K1  1  0.33333300  0.66666700  0.75000000  1.0
  Ba  Ba2  1  0.83731000  0.67462000  0.75000000  1.0
  Ba  Ba3  1  0.16269000  0.83731000  0.25000000  1.0
  Ba  Ba4  1  0.67462000  0.83731000  0.25000000  1.0
  Ba  Ba5  1  0.16269000  0.32538000  0.25000000  1.0
  Ba  Ba6  1  0.32538000  0.16269000  0.75000000  1.0
  Ba  Ba7  1  0.83731000  0.16269000  0.75000000  1.0