# generated using pymatgen
data_Ca11Yb(AlN2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77310059
_cell_length_b   9.52256423
_cell_length_c   9.55412020
_cell_angle_alpha   68.26057602
_cell_angle_beta   89.96898436
_cell_angle_gamma   89.95117853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11Yb(AlN2)8
_chemical_formula_sum   'Ca11 Yb1 Al8 N16'
_cell_volume   487.87909954
_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  0.40357942  0.68503951  0.94718434  1.0
  Ca  Ca1  1  0.15346302  0.82923150  0.53369974  1.0
  Ca  Ca2  1  0.59585731  0.31585430  0.05058130  1.0
  Ca  Ca3  1  0.34767676  0.33008719  0.53404897  1.0
  Ca  Ca4  1  0.90284283  0.81515011  0.05075674  1.0
  Ca  Ca5  1  0.62001482  0.10027953  0.81693961  1.0
  Ca  Ca6  1  0.11876073  0.39946075  0.18247733  1.0
  Ca  Ca7  1  0.09662904  0.18414445  0.94987194  1.0
  Ca  Ca8  1  0.38055438  0.89842578  0.18397886  1.0
  Ca  Ca9  1  0.87914550  0.60000968  0.81601979  1.0
  Ca  Ca10  1  0.84780920  0.17055721  0.46596291  1.0
  Yb  Yb11  1  0.65565565  0.67122322  0.46606653  1.0
  Al  Al12  1  0.14276275  0.01130193  0.74128943  1.0
  Al  Al13  1  0.11094951  0.60858338  0.38200463  1.0
  Al  Al14  1  0.85653209  0.98803839  0.25872928  1.0
  Al  Al15  1  0.61063649  0.89118523  0.61835371  1.0
  Al  Al16  1  0.64295689  0.48943859  0.25947276  1.0
  Al  Al17  1  0.88931318  0.39160062  0.61898000  1.0
  Al  Al18  1  0.35709284  0.51170410  0.74029045  1.0
  Al  Al19  1  0.38974390  0.10852145  0.38071497  1.0
  N  N20  1  0.73755227  0.06334015  0.06212188  1.0
  N  N21  1  0.89854229  0.44880108  0.39924002  1.0
  N  N22  1  0.49044564  0.70160236  0.69697473  1.0
  N  N23  1  0.39753374  0.05122641  0.60057855  1.0
  N  N24  1  0.60142855  0.94683390  0.39911928  1.0
  N  N25  1  0.51043074  0.29873895  0.30100577  1.0
  N  N26  1  0.90083929  0.89507309  0.70298105  1.0
  N  N27  1  0.26199836  0.93606030  0.93805082  1.0
  N  N28  1  0.01139825  0.20198100  0.69947388  1.0
  N  N29  1  0.23803270  0.43745494  0.93732639  1.0
  N  N30  1  0.76082035  0.56349943  0.06222462  1.0
  N  N31  1  0.10023201  0.55213888  0.60123281  1.0
  N  N32  1  0.09917295  0.10460871  0.29607143  1.0
  N  N33  1  0.40565026  0.60644115  0.30194093  1.0
  N  N34  1  0.59894114  0.39566374  0.70242699  1.0
  N  N35  1  0.98500615  0.79670001  0.30180653  1.0