# generated using pymatgen
data_Ca2Al20NiOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82750004
_cell_length_b   6.81795445
_cell_length_c   9.06092443
_cell_angle_alpha   90.47250629
_cell_angle_beta   90.02938012
_cell_angle_gamma   96.94957975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al20NiOs3
_chemical_formula_sum   'Ca2 Al20 Ni1 Os3'
_cell_volume   418.66871446
_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  0.62739163  0.37651323  0.75095868  1.0
  Ca  Ca1  1  0.37260837  0.62348677  0.24904132  1.0
  Al  Al2  1  0.27835637  0.02067328  0.74768005  1.0
  Al  Al3  1  0.02113420  0.28031177  0.24814583  1.0
  Al  Al4  1  0.72164363  0.97932672  0.25231995  1.0
  Al  Al5  1  0.97886580  0.71968823  0.75185417  1.0
  Al  Al6  1  0.87828249  0.12266260  0.95019000  1.0
  Al  Al7  1  0.12171751  0.87733740  0.04981000  1.0
  Al  Al8  1  0.87687902  0.12332181  0.54789815  1.0
  Al  Al9  1  0.12312098  0.87667819  0.45210185  1.0
  Al  Al10  1  0.63972476  0.91298414  0.75254816  1.0
  Al  Al11  1  0.90911961  0.64006040  0.25052835  1.0
  Al  Al12  1  0.36027524  0.08701586  0.24745184  1.0
  Al  Al13  1  0.09088039  0.35993960  0.74947165  1.0
  Al  Al14  1  0.34264584  0.66108176  0.89887840  1.0
  Al  Al15  1  0.65735416  0.33891824  0.10112160  1.0
  Al  Al16  1  0.34340496  0.65814504  0.59852174  1.0
  Al  Al17  1  0.65659504  0.34185496  0.40147826  1.0
  Al  Al18  1  0.72473039  0.72800233  0.00039352  1.0
  Al  Al19  1  0.72388633  0.72380535  0.50232105  1.0
  Al  Al20  1  0.27526961  0.27199767  0.99960648  1.0
  Al  Al21  1  0.27611367  0.27619465  0.49767895  1.0
  Ni  Ni22  1  0.50000000  0.00000000  0.00000000  1.0
  Os  Os23  1  0.00000000  0.50000000  0.00000000  1.0
  Os  Os24  1  0.50000000  0.00000000  0.50000000  1.0
  Os  Os25  1  0.00000000  0.50000000  0.50000000  1.0