# generated using pymatgen
data_BaBPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25780600
_cell_length_b   5.70780300
_cell_length_c   12.14817600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBPd4
_chemical_formula_sum   'Ba4 B4 Pd16'
_cell_volume   433.91248468
_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  0.18547100  0.25000000  0.33577100  1.0
  Ba  Ba1  1  0.68547100  0.25000000  0.16422900  1.0
  Ba  Ba2  1  0.81452900  0.75000000  0.66422900  1.0
  Ba  Ba3  1  0.31452900  0.75000000  0.83577100  1.0
  B  B4  1  0.09923300  0.25000000  0.94849500  1.0
  B  B5  1  0.59923300  0.25000000  0.55150500  1.0
  B  B6  1  0.90076700  0.75000000  0.05150500  1.0
  B  B7  1  0.40076700  0.75000000  0.44849500  1.0
  Pd  Pd8  1  0.11053900  0.25000000  0.76822100  1.0
  Pd  Pd9  1  0.61053900  0.25000000  0.73177900  1.0
  Pd  Pd10  1  0.88946100  0.75000000  0.23177900  1.0
  Pd  Pd11  1  0.38946100  0.75000000  0.26822100  1.0
  Pd  Pd12  1  0.43649300  0.25000000  0.94094200  1.0
  Pd  Pd13  1  0.93649300  0.25000000  0.55905800  1.0
  Pd  Pd14  1  0.56350700  0.75000000  0.05905800  1.0
  Pd  Pd15  1  0.06350700  0.75000000  0.44094200  1.0
  Pd  Pd16  1  0.33470700  0.00598600  0.58159600  1.0
  Pd  Pd17  1  0.83470700  0.49401400  0.91840400  1.0
  Pd  Pd18  1  0.66529300  0.50598600  0.41840400  1.0
  Pd  Pd19  1  0.16529300  0.99401400  0.08159600  1.0
  Pd  Pd20  1  0.66529300  0.99401400  0.41840400  1.0
  Pd  Pd21  1  0.16529300  0.50598600  0.08159600  1.0
  Pd  Pd22  1  0.33470700  0.49401400  0.58159600  1.0
  Pd  Pd23  1  0.83470700  0.00598600  0.91840400  1.0