# generated using pymatgen
data_CaTb7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13209116
_cell_length_b   8.14990528
_cell_length_c   8.07968718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92772435
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb7(Si3Ir)4
_chemical_formula_sum   'Ca1 Tb7 Si12 Ir4'
_cell_volume   464.08316395
_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  0.50561669  0.01123038  0.25000000  1.0
  Tb  Tb1  1  0.49499970  0.99000141  0.75000000  1.0
  Tb  Tb2  1  0.98951019  0.49446778  0.25000000  1.0
  Tb  Tb3  1  0.01103438  0.50550787  0.75000000  1.0
  Tb  Tb4  1  0.50495859  0.49446778  0.25000000  1.0
  Tb  Tb5  1  0.49447249  0.50550787  0.75000000  1.0
  Tb  Tb6  1  0.99961928  0.99923956  0.25000000  1.0
  Tb  Tb7  1  0.99989037  0.99978074  0.75000000  1.0
  Si  Si8  1  0.16550259  0.33100519  0.00004228  1.0
  Si  Si9  1  0.83433681  0.66867361  0.99856729  1.0
  Si  Si10  1  0.66591037  0.83353354  0.00041696  1.0
  Si  Si11  1  0.83433681  0.66867361  0.50143271  1.0
  Si  Si12  1  0.33435109  0.16675267  0.99814452  1.0
  Si  Si13  1  0.16550259  0.33100519  0.49995772  1.0
  Si  Si14  1  0.16762516  0.83353354  0.00041696  1.0
  Si  Si15  1  0.33435109  0.16675267  0.50185548  1.0
  Si  Si16  1  0.83240159  0.16675267  0.99814452  1.0
  Si  Si17  1  0.66591037  0.83353354  0.49958304  1.0
  Si  Si18  1  0.83240159  0.16675267  0.50185548  1.0
  Si  Si19  1  0.16762516  0.83353354  0.49958304  1.0
  Ir  Ir20  1  0.33132656  0.66265313  0.01189198  1.0
  Ir  Ir21  1  0.66849648  0.33699196  0.98130208  1.0
  Ir  Ir22  1  0.66849648  0.33699196  0.51869792  1.0
  Ir  Ir23  1  0.33132656  0.66265313  0.48810802  1.0