# generated using pymatgen
data_Ca7Lu(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21020522
_cell_length_b   8.21020591
_cell_length_c   8.32358006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Lu(Si3Pd)4
_chemical_formula_sum   'Ca7 Lu1 Si12 Pd4'
_cell_volume   485.90224112
_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  0.50035973  0.00071946  0.25000000  1.0
  Ca  Ca1  1  0.49958341  0.99916681  0.75000000  1.0
  Ca  Ca2  1  0.99928054  0.49964027  0.25000000  1.0
  Ca  Ca3  1  0.00083319  0.50041659  0.75000000  1.0
  Ca  Ca4  1  0.50035973  0.49964027  0.25000000  1.0
  Ca  Ca5  1  0.49958341  0.50041659  0.75000000  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.25000000  1.0
  Lu  Lu7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.16446549  0.32893298  0.99410974  1.0
  Si  Si9  1  0.83553501  0.67107002  0.99338009  1.0
  Si  Si10  1  0.67106702  0.83553451  0.99410974  1.0
  Si  Si11  1  0.83553501  0.67107002  0.50661991  1.0
  Si  Si12  1  0.32892998  0.16446499  0.99338009  1.0
  Si  Si13  1  0.16446549  0.32893298  0.50589026  1.0
  Si  Si14  1  0.16446549  0.83553451  0.99410974  1.0
  Si  Si15  1  0.32892998  0.16446499  0.50661991  1.0
  Si  Si16  1  0.83553501  0.16446499  0.99338009  1.0
  Si  Si17  1  0.67106702  0.83553451  0.50589026  1.0
  Si  Si18  1  0.83553501  0.16446499  0.50661991  1.0
  Si  Si19  1  0.16446549  0.83553451  0.50589026  1.0
  Pd  Pd20  1  0.33333300  0.66666700  0.00128616  1.0
  Pd  Pd21  1  0.66666700  0.33333300  0.99993176  1.0
  Pd  Pd22  1  0.66666700  0.33333300  0.50006824  1.0
  Pd  Pd23  1  0.33333300  0.66666700  0.49871384  1.0