# generated using pymatgen
data_CaThSi7Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73984950
_cell_length_b   9.73984942
_cell_length_c   3.89451637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaThSi7Ir12
_chemical_formula_sum   'Ca1 Th1 Si7 Ir12'
_cell_volume   319.95482499
_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  0.66666700  0.33333300  0.25317844  1.0
  Th  Th1  1  0.33333300  0.66666700  0.75227294  1.0
  Si  Si2  1  0.00000000  0.00000000  0.45562874  1.0
  Si  Si3  1  0.29005106  0.89254478  0.25033873  1.0
  Si  Si4  1  0.60249372  0.70994894  0.25033873  1.0
  Si  Si5  1  0.10745522  0.39750628  0.25033873  1.0
  Si  Si6  1  0.70990485  0.11690235  0.75388158  1.0
  Si  Si7  1  0.40699750  0.29009515  0.75388158  1.0
  Si  Si8  1  0.88309765  0.59300250  0.75388158  1.0
  Ir  Ir9  1  0.26465882  0.12091130  0.25666737  1.0
  Ir  Ir10  1  0.85625248  0.73534118  0.25666737  1.0
  Ir  Ir11  1  0.87908870  0.14374752  0.25666737  1.0
  Ir  Ir12  1  0.74192488  0.88682783  0.74742859  1.0
  Ir  Ir13  1  0.14490295  0.25807512  0.74742859  1.0
  Ir  Ir14  1  0.11317217  0.85509705  0.74742859  1.0
  Ir  Ir15  1  0.06525844  0.62091989  0.25094436  1.0
  Ir  Ir16  1  0.55566144  0.93474156  0.25094436  1.0
  Ir  Ir17  1  0.37908011  0.44433856  0.25094436  1.0
  Ir  Ir18  1  0.94154382  0.38287849  0.75371300  1.0
  Ir  Ir19  1  0.44133467  0.05845618  0.75371300  1.0
  Ir  Ir20  1  0.61712151  0.55866533  0.75371300  1.0