# generated using pymatgen
data_Ca7Yb(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21367211
_cell_length_b   8.21373567
_cell_length_c   8.45284960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00044279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Yb(Si3Pd)4
_chemical_formula_sum   'Ca7 Yb1 Si12 Pd4'
_cell_volume   493.86690026
_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  0.50065467  0.00130787  0.25000000  1.0
  Ca  Ca1  1  0.49935054  0.99869097  0.75000000  1.0
  Ca  Ca2  1  0.99868979  0.49934214  0.25000000  1.0
  Ca  Ca3  1  0.00130789  0.50064813  0.75000000  1.0
  Ca  Ca4  1  0.50065870  0.49934146  0.25000000  1.0
  Ca  Ca5  1  0.49934706  0.50064786  0.75000000  1.0
  Ca  Ca6  1  0.00000231  0.00000080  0.25000000  1.0
  Yb  Yb7  1  0.99999792  0.99999860  0.75000000  1.0
  Si  Si8  1  0.16487721  0.32968638  0.99857477  1.0
  Si  Si9  1  0.83513964  0.67034424  0.99795659  1.0
  Si  Si10  1  0.67032357  0.83513992  0.99857466  1.0
  Si  Si11  1  0.83513964  0.67034424  0.50204341  1.0
  Si  Si12  1  0.32964029  0.16483913  0.99795310  1.0
  Si  Si13  1  0.16487721  0.32968638  0.50142523  1.0
  Si  Si14  1  0.16486376  0.83516045  0.99857497  1.0
  Si  Si15  1  0.32964029  0.16483913  0.50204690  1.0
  Si  Si16  1  0.83515091  0.16482244  0.99795795  1.0
  Si  Si17  1  0.67032357  0.83513992  0.50142534  1.0
  Si  Si18  1  0.83515091  0.16482244  0.50204205  1.0
  Si  Si19  1  0.16486376  0.83516045  0.50142503  1.0
  Pd  Pd20  1  0.33333194  0.66668224  0.00162666  1.0
  Pd  Pd21  1  0.66666822  0.33333628  0.99839335  1.0
  Pd  Pd22  1  0.66666822  0.33333628  0.50160665  1.0
  Pd  Pd23  1  0.33333194  0.66668224  0.49837334  1.0