# generated using pymatgen
data_CaPr7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24416653
_cell_length_b   8.24416764
_cell_length_c   8.59532163
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.20180905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr7(Si3Ir)4
_chemical_formula_sum   'Ca1 Pr7 Si12 Ir4'
_cell_volume   504.89325926
_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  0.49984058  0.50015942  0.75000000  1.0
  Pr  Pr1  1  0.50008523  0.49991477  0.25000000  1.0
  Pr  Pr2  1  0.00027792  0.50011286  0.75000000  1.0
  Pr  Pr3  1  0.99967108  0.49985084  0.25000000  1.0
  Pr  Pr4  1  0.49988714  0.99972208  0.75000000  1.0
  Pr  Pr5  1  0.50014916  0.00032892  0.25000000  1.0
  Pr  Pr6  1  0.00003326  0.99996674  0.75000000  1.0
  Pr  Pr7  1  0.99999501  0.00000499  0.25000000  1.0
  Si  Si8  1  0.83356909  0.16643091  0.00087334  1.0
  Si  Si9  1  0.16642963  0.83357037  0.00097027  1.0
  Si  Si10  1  0.33583601  0.16926264  0.99829331  1.0
  Si  Si11  1  0.16642963  0.83357037  0.49902973  1.0
  Si  Si12  1  0.66416964  0.83073211  0.99836046  1.0
  Si  Si13  1  0.83356909  0.16643091  0.49912666  1.0
  Si  Si14  1  0.83073736  0.66416399  0.99829331  1.0
  Si  Si15  1  0.66416964  0.83073211  0.50163954  1.0
  Si  Si16  1  0.16926789  0.33583036  0.99836046  1.0
  Si  Si17  1  0.33583601  0.16926264  0.50170669  1.0
  Si  Si18  1  0.16926789  0.33583036  0.50163954  1.0
  Si  Si19  1  0.83073736  0.66416399  0.50170669  1.0
  Ir  Ir20  1  0.66775494  0.33224506  0.99971963  1.0
  Ir  Ir21  1  0.33226624  0.66773376  0.00052914  1.0
  Ir  Ir22  1  0.33226624  0.66773376  0.49947086  1.0
  Ir  Ir23  1  0.66775494  0.33224506  0.50028037  1.0