# generated using pymatgen
data_CaSm(Al5Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83523637
_cell_length_b   6.83523406
_cell_length_c   9.12706633
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.76480847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(Al5Os)4
_chemical_formula_sum   'Ca1 Sm1 Al20 Os4'
_cell_volume   423.45183881
_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  0.87310538  0.12689785  0.75000000  1.0
  Sm  Sm1  1  0.12540497  0.87458950  0.25000000  1.0
  Al  Al2  1  0.52151373  0.78383719  0.75000000  1.0
  Al  Al3  1  0.78108015  0.51839528  0.25000000  1.0
  Al  Al4  1  0.48159705  0.21891164  0.25000000  1.0
  Al  Al5  1  0.21616581  0.47848334  0.75000000  1.0
  Al  Al6  1  0.62293687  0.37706321  0.95968654  1.0
  Al  Al7  1  0.37690468  0.62309883  0.05134940  1.0
  Al  Al8  1  0.62293687  0.37706321  0.54031346  1.0
  Al  Al9  1  0.37690468  0.62309883  0.44865060  1.0
  Al  Al10  1  0.40930391  0.14252408  0.75000000  1.0
  Al  Al11  1  0.14047384  0.40973823  0.25000000  1.0
  Al  Al12  1  0.59026654  0.85952797  0.25000000  1.0
  Al  Al13  1  0.85747507  0.59069668  0.75000000  1.0
  Al  Al14  1  0.84396072  0.15604674  0.40037392  1.0
  Al  Al15  1  0.16037613  0.83962570  0.60146380  1.0
  Al  Al16  1  0.84396072  0.15604674  0.09962608  1.0
  Al  Al17  1  0.16037613  0.83962570  0.89853620  1.0
  Al  Al18  1  0.77376268  0.77491517  0.99977353  1.0
  Al  Al19  1  0.77376268  0.77491517  0.50022647  1.0
  Al  Al20  1  0.22508262  0.22623928  0.99977302  1.0
  Al  Al21  1  0.22508262  0.22623928  0.50022698  1.0
  Os  Os22  1  0.49947863  0.00069295  0.99956024  1.0
  Os  Os23  1  0.99930493  0.50051824  0.99956190  1.0
  Os  Os24  1  0.49947863  0.00069295  0.50043976  1.0
  Os  Os25  1  0.99930493  0.50051824  0.50043810  1.0