# generated using pymatgen
data_Ca8Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47078040
_cell_length_b   9.55446267
_cell_length_c   9.62363170
_cell_angle_alpha   99.08265254
_cell_angle_beta   100.96672002
_cell_angle_gamma   119.70375014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Al3
_chemical_formula_sum   'Ca16 Al6'
_cell_volume   709.38460988
_cell_formula_units_Z   2
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  0.53189337  0.70095167  0.65002898  1.0
  Ca  Ca1  1  0.46810663  0.29904833  0.34997102  1.0
  Ca  Ca2  1  0.07932169  0.23067064  0.10620951  1.0
  Ca  Ca3  1  0.92067831  0.76932936  0.89379049  1.0
  Ca  Ca4  1  0.87913809  0.40122985  0.64952027  1.0
  Ca  Ca5  1  0.12086191  0.59877015  0.35047973  1.0
  Ca  Ca6  1  0.33247801  0.87760855  0.10935389  1.0
  Ca  Ca7  1  0.66752199  0.12239145  0.89064611  1.0
  Ca  Ca8  1  0.95973248  0.06096955  0.66961363  1.0
  Ca  Ca9  1  0.04026752  0.93903045  0.33038637  1.0
  Ca  Ca10  1  0.70204145  0.49846262  0.10972071  1.0
  Ca  Ca11  1  0.29795855  0.50153738  0.89027929  1.0
  Ca  Ca12  1  0.77474954  0.15270525  0.30023984  1.0
  Ca  Ca13  1  0.22525046  0.84729475  0.69976016  1.0
  Ca  Ca14  1  0.54584118  0.71219586  0.29818225  1.0
  Ca  Ca15  1  0.45415882  0.28780414  0.70181775  1.0
  Al  Al16  1  -0.00000000  0.50000000  -0.00000000  1.0
  Al  Al17  1  0.50000000  -0.00000000  0.50000000  1.0
  Al  Al18  1  0.17293012  0.33708215  0.50026747  1.0
  Al  Al19  1  0.82706988  0.66291785  0.49973253  1.0
  Al  Al20  1  0.67604527  0.84066246  0.02652189  1.0
  Al  Al21  1  0.32395473  0.15933754  0.97347811  1.0