# generated using pymatgen
data_Ca3Ni6B2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80337035
_cell_length_b   7.80337037
_cell_length_c   7.80336973
_cell_angle_alpha   38.32799645
_cell_angle_beta   38.32799621
_cell_angle_gamma   38.32799704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ni6B2Pd
_chemical_formula_sum   'Ca3 Ni6 B2 Pd1'
_cell_volume   164.14399405
_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
  Ca  Ca0  1  0.64352827  0.64352827  0.64352827  1.0
  Ca  Ca1  1  0.35647173  0.35647173  0.35647173  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.56734801  0.06008633  0.06008633  1.0
  Ni  Ni4  1  0.06008633  0.06008633  0.56734801  1.0
  Ni  Ni5  1  0.06008633  0.56734801  0.06008633  1.0
  Ni  Ni6  1  0.93991367  0.43265199  0.93991367  1.0
  Ni  Ni7  1  0.93991367  0.93991367  0.43265199  1.0
  Ni  Ni8  1  0.43265199  0.93991367  0.93991367  1.0
  B  B9  1  0.83142821  0.83142821  0.83142821  1.0
  B  B10  1  0.16857179  0.16857179  0.16857179  1.0
  Pd  Pd11  1  0.00000000  0.00000000  0.00000000  1.0