# generated using pymatgen
data_CaLuSi7Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69762483
_cell_length_b   9.69762562
_cell_length_c   3.86183742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLuSi7Ir12
_chemical_formula_sum   'Ca1 Lu1 Si7 Ir12'
_cell_volume   314.52517104
_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  0.25081202  1.0
  Lu  Lu1  1  0.33333300  0.66666700  0.74984590  1.0
  Si  Si2  1  0.00000000  0.00000000  0.49909083  1.0
  Si  Si3  1  0.29105482  0.88551450  0.24848922  1.0
  Si  Si4  1  0.59445968  0.70894518  0.24848922  1.0
  Si  Si5  1  0.11448550  0.40554032  0.24848922  1.0
  Si  Si6  1  0.71140595  0.11722773  0.75143439  1.0
  Si  Si7  1  0.40582177  0.28859405  0.75143439  1.0
  Si  Si8  1  0.88277227  0.59417823  0.75143439  1.0
  Ir  Ir9  1  0.26159940  0.11694761  0.25463929  1.0
  Ir  Ir10  1  0.85534821  0.73840060  0.25463929  1.0
  Ir  Ir11  1  0.88305239  0.14465179  0.25463929  1.0
  Ir  Ir12  1  0.73928297  0.88486785  0.74523534  1.0
  Ir  Ir13  1  0.14558488  0.26071703  0.74523534  1.0
  Ir  Ir14  1  0.11513215  0.85441512  0.74523534  1.0
  Ir  Ir15  1  0.06581315  0.62152067  0.24881902  1.0
  Ir  Ir16  1  0.55570752  0.93418685  0.24881902  1.0
  Ir  Ir17  1  0.37847933  0.44429248  0.24881902  1.0
  Ir  Ir18  1  0.94289685  0.38402829  0.75146616  1.0
  Ir  Ir19  1  0.44113144  0.05710315  0.75146616  1.0
  Ir  Ir20  1  0.61597171  0.55886856  0.75146616  1.0