# generated using pymatgen
data_Ca16Al5In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49271557
_cell_length_b   9.58926728
_cell_length_c   9.63925493
_cell_angle_alpha   98.94969363
_cell_angle_beta   101.11215830
_cell_angle_gamma   119.83212943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca16Al5In
_chemical_formula_sum   'Ca16 Al5 In1'
_cell_volume   713.57110600
_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  0.92080792  0.77027632  0.39369680  1.0
  Ca  Ca1  1  0.70181371  0.49873160  0.61001712  1.0
  Ca  Ca2  1  0.46819110  0.29975105  0.84946680  1.0
  Ca  Ca3  1  0.53180890  0.70024895  0.15053320  1.0
  Ca  Ca4  1  0.11881134  0.59685796  0.85118989  1.0
  Ca  Ca5  1  0.29818629  0.50126840  0.38998288  1.0
  Ca  Ca6  1  0.33280757  0.87787420  0.60824628  1.0
  Ca  Ca7  1  0.07919208  0.22972368  0.60630320  1.0
  Ca  Ca8  1  0.66719243  0.12212580  0.39175372  1.0
  Ca  Ca9  1  0.88118866  0.40314204  0.14881011  1.0
  Ca  Ca10  1  0.45654329  0.29127363  0.20353897  1.0
  Ca  Ca11  1  0.77551732  0.15285030  0.79906141  1.0
  Ca  Ca12  1  0.04030724  0.93930278  0.83098477  1.0
  Ca  Ca13  1  0.95969276  0.06069722  0.16901523  1.0
  Ca  Ca14  1  0.54345671  0.70872637  0.79646103  1.0
  Ca  Ca15  1  0.22448268  0.84714970  0.20093859  1.0
  Al  Al16  1  0.82684562  0.66315232  0.00019353  1.0
  Al  Al17  1  0.67660810  0.84028868  0.52672938  1.0
  Al  Al18  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al19  1  0.17315438  0.33684768  0.99980647  1.0
  Al  Al20  1  0.32339190  0.15971132  0.47327062  1.0
  In  In21  1  0.50000000  0.00000000  0.00000000  1.0