# generated using pymatgen
data_Ca7Th(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22773837
_cell_length_b   8.22773887
_cell_length_c   8.47476711
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Th(Si3Pd)4
_chemical_formula_sum   'Ca7 Th1 Si12 Pd4'
_cell_volume   496.84328055
_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  0.50022840  0.00045781  0.25000000  1.0
  Ca  Ca1  1  0.49976767  0.99953633  0.75000000  1.0
  Ca  Ca2  1  0.99954219  0.49977160  0.25000000  1.0
  Ca  Ca3  1  0.00046367  0.50023233  0.75000000  1.0
  Ca  Ca4  1  0.50022840  0.49977160  0.25000000  1.0
  Ca  Ca5  1  0.49976767  0.50023233  0.75000000  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.25000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.16561013  0.33122126  0.99754178  1.0
  Si  Si9  1  0.83439465  0.66878929  0.99727306  1.0
  Si  Si10  1  0.66877874  0.83438987  0.99754178  1.0
  Si  Si11  1  0.83439465  0.66878929  0.50272694  1.0
  Si  Si12  1  0.33121071  0.16560535  0.99727306  1.0
  Si  Si13  1  0.16561013  0.33122126  0.50245822  1.0
  Si  Si14  1  0.16561013  0.83438987  0.99754178  1.0
  Si  Si15  1  0.33121071  0.16560535  0.50272694  1.0
  Si  Si16  1  0.83439465  0.16560535  0.99727306  1.0
  Si  Si17  1  0.66877874  0.83438987  0.50245822  1.0
  Si  Si18  1  0.83439465  0.16560535  0.50272694  1.0
  Si  Si19  1  0.16561013  0.83438987  0.50245822  1.0
  Pd  Pd20  1  0.33333300  0.66666700  0.00442678  1.0
  Pd  Pd21  1  0.66666700  0.33333300  0.00409712  1.0
  Pd  Pd22  1  0.66666700  0.33333300  0.49590288  1.0
  Pd  Pd23  1  0.33333300  0.66666700  0.49557322  1.0