# generated using pymatgen
data_Ca5Nd3(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24389141
_cell_length_b   8.23477162
_cell_length_c   8.46525547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.03663772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Nd3(Si3Pd)4
_chemical_formula_sum   'Ca5 Nd3 Si12 Pd4'
_cell_volume   497.50112739
_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  0.49944826  0.50056656  0.75000000  1.0
  Ca  Ca1  1  0.50059262  0.49963707  0.25000000  1.0
  Ca  Ca2  1  0.00111730  0.50056656  0.75000000  1.0
  Ca  Ca3  1  0.99904446  0.49963707  0.25000000  1.0
  Ca  Ca4  1  0.49935183  0.99870365  0.75000000  1.0
  Nd  Nd5  1  0.50051223  0.00102447  0.25000000  1.0
  Nd  Nd6  1  0.99999650  0.99999400  0.75000000  1.0
  Nd  Nd7  1  0.00000825  0.00001651  0.25000000  1.0
  Si  Si8  1  0.83539142  0.16582266  0.00043059  1.0
  Si  Si9  1  0.16457975  0.83417028  0.00124398  1.0
  Si  Si10  1  0.33043125  0.16582266  0.00043059  1.0
  Si  Si11  1  0.16457975  0.83417028  0.49875602  1.0
  Si  Si12  1  0.66959054  0.83417028  0.00124398  1.0
  Si  Si13  1  0.83539142  0.16582266  0.49956941  1.0
  Si  Si14  1  0.83410387  0.66820874  0.00016869  1.0
  Si  Si15  1  0.66959054  0.83417028  0.49875602  1.0
  Si  Si16  1  0.16588188  0.33176375  0.00095214  1.0
  Si  Si17  1  0.33043125  0.16582266  0.49956941  1.0
  Si  Si18  1  0.16588188  0.33176375  0.49904786  1.0
  Si  Si19  1  0.83410387  0.66820874  0.49983131  1.0
  Pd  Pd20  1  0.66628379  0.33256659  0.99796064  1.0
  Pd  Pd21  1  0.33370079  0.66740357  0.00031945  1.0
  Pd  Pd22  1  0.33370079  0.66740357  0.49968055  1.0
  Pd  Pd23  1  0.66628379  0.33256659  0.50203936  1.0