# generated using pymatgen
data_Ca6AlSi3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70548243
_cell_length_b   8.03049506
_cell_length_c   13.42378378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6AlSi3Pd4
_chemical_formula_sum   'Ca12 Al2 Si6 Pd8'
_cell_volume   615.04889017
_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
  Ca  Ca0  1  0.13163137  0.61411761  0.10475663  1.0
  Ca  Ca1  1  0.13163137  0.88588239  0.89524337  1.0
  Ca  Ca2  1  0.86836863  0.11411761  0.39524337  1.0
  Ca  Ca3  1  0.86836863  0.38588239  0.60475663  1.0
  Ca  Ca4  1  0.86517755  0.39093515  0.89375077  1.0
  Ca  Ca5  1  0.86517755  0.10906485  0.10624923  1.0
  Ca  Ca6  1  0.13482245  0.89093515  0.60624923  1.0
  Ca  Ca7  1  0.13482245  0.60906485  0.39375077  1.0
  Ca  Ca8  1  0.35089809  0.25792141  0.25064936  1.0
  Ca  Ca9  1  0.35089809  0.24207859  0.74935064  1.0
  Ca  Ca10  1  0.64910191  0.75792141  0.24935064  1.0
  Ca  Ca11  1  0.64910191  0.74207859  0.75064936  1.0
  Al  Al12  1  0.38697501  0.25000000  0.00000000  1.0
  Al  Al13  1  0.61302499  0.75000000  0.50000000  1.0
  Si  Si14  1  0.61698321  0.75000000  0.00000000  1.0
  Si  Si15  1  0.38301679  0.25000000  0.50000000  1.0
  Si  Si16  1  0.83171148  0.40753927  0.24915701  1.0
  Si  Si17  1  0.83171148  0.09246073  0.75084299  1.0
  Si  Si18  1  0.16828852  0.90753927  0.25084299  1.0
  Si  Si19  1  0.16828852  0.59246073  0.74915701  1.0
  Pd  Pd20  1  0.62723527  0.47695168  0.08949142  1.0
  Pd  Pd21  1  0.62723527  0.02304832  0.91050858  1.0
  Pd  Pd22  1  0.37276473  0.97695168  0.41050858  1.0
  Pd  Pd23  1  0.37276473  0.52304832  0.58949142  1.0
  Pd  Pd24  1  0.37561609  0.53378246  0.91072793  1.0
  Pd  Pd25  1  0.37561609  0.96621754  0.08927207  1.0
  Pd  Pd26  1  0.62438391  0.03378246  0.58927207  1.0
  Pd  Pd27  1  0.62438391  0.46621754  0.41072793  1.0