# generated using pymatgen
data_Ca2YbAlN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06758307
_cell_length_b   6.77903557
_cell_length_c   9.73246175
_cell_angle_alpha   86.42836853
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YbAlN3
_chemical_formula_sum   'Ca8 Yb4 Al4 N12'
_cell_volume   399.54159248
_cell_formula_units_Z   4
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  0.78679295  0.38159350  0.07872421  1.0
  Ca  Ca1  1  0.28679295  0.61840650  0.42127579  1.0
  Ca  Ca2  1  0.21320705  0.61840650  0.92127579  1.0
  Ca  Ca3  1  0.71320705  0.38159350  0.57872421  1.0
  Ca  Ca4  1  0.64107183  0.07675806  0.35218842  1.0
  Ca  Ca5  1  0.14107183  0.92324194  0.14781158  1.0
  Ca  Ca6  1  0.35892817  0.92324194  0.64781158  1.0
  Ca  Ca7  1  0.85892817  0.07675806  0.85218842  1.0
  Yb  Yb8  1  0.77871788  0.65079941  0.30631461  1.0
  Yb  Yb9  1  0.27871788  0.34920059  0.19368539  1.0
  Yb  Yb10  1  0.22128212  0.34920059  0.69368539  1.0
  Yb  Yb11  1  0.72128212  0.65079941  0.80631461  1.0
  Al  Al12  1  0.90886597  0.83892683  0.55961472  1.0
  Al  Al13  1  0.40886597  0.16107317  0.94038528  1.0
  Al  Al14  1  0.09113403  0.16107317  0.44038528  1.0
  Al  Al15  1  0.59113403  0.83892683  0.05961472  1.0
  N  N16  1  0.56382575  0.34890733  0.82721608  1.0
  N  N17  1  0.06382575  0.65109267  0.67278392  1.0
  N  N18  1  0.43617425  0.65109267  0.17278392  1.0
  N  N19  1  0.93617425  0.34890733  0.32721608  1.0
  N  N20  1  0.62356305  0.74137863  0.52515235  1.0
  N  N21  1  0.12356305  0.25862137  0.97484765  1.0
  N  N22  1  0.37643695  0.25862137  0.47484765  1.0
  N  N23  1  0.87643695  0.74137863  0.02515235  1.0
  N  N24  1  0.53614995  0.10277830  0.11920474  1.0
  N  N25  1  0.03614995  0.89722170  0.38079526  1.0
  N  N26  1  0.46385005  0.89722170  0.88079526  1.0
  N  N27  1  0.96385005  0.10277830  0.61920474  1.0