# generated using pymatgen
data_Ca7Nd(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22081404
_cell_length_b   8.22081501
_cell_length_c   8.50544803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Nd(Si3Pd)4
_chemical_formula_sum   'Ca7 Nd1 Si12 Pd4'
_cell_volume   497.80305967
_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  0.50005101  0.49994899  0.75000000  1.0
  Ca  Ca1  1  0.49995807  0.50004193  0.25000000  1.0
  Ca  Ca2  1  0.99989898  0.49994899  0.75000000  1.0
  Ca  Ca3  1  0.00008386  0.50004193  0.25000000  1.0
  Ca  Ca4  1  0.50005101  0.00010102  0.75000000  1.0
  Ca  Ca5  1  0.49995807  0.99991614  0.25000000  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.75000000  1.0
  Nd  Nd7  1  0.00000000  0.00000000  0.25000000  1.0
  Si  Si8  1  0.83442177  0.16557823  0.00112165  1.0
  Si  Si9  1  0.16558354  0.83441646  0.00134781  1.0
  Si  Si10  1  0.33115646  0.16557823  0.00112165  1.0
  Si  Si11  1  0.16558354  0.83441646  0.49865219  1.0
  Si  Si12  1  0.66883193  0.83441646  0.00134781  1.0
  Si  Si13  1  0.83442177  0.16557823  0.49887835  1.0
  Si  Si14  1  0.83442177  0.66884354  0.00112165  1.0
  Si  Si15  1  0.66883193  0.83441646  0.49865219  1.0
  Si  Si16  1  0.16558354  0.33116807  0.00134781  1.0
  Si  Si17  1  0.33115646  0.16557823  0.49887835  1.0
  Si  Si18  1  0.16558354  0.33116807  0.49865219  1.0
  Si  Si19  1  0.83442177  0.66884354  0.49887835  1.0
  Pd  Pd20  1  0.66666700  0.33333300  0.99667241  1.0
  Pd  Pd21  1  0.33333300  0.66666700  0.99679971  1.0
  Pd  Pd22  1  0.33333300  0.66666700  0.50320029  1.0
  Pd  Pd23  1  0.66666700  0.33333300  0.50332759  1.0