# generated using pymatgen
data_Ca2Yb2SiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91753602
_cell_length_b   9.02474697
_cell_length_c   10.80471947
_cell_angle_alpha   63.92810369
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Yb2SiN4
_chemical_formula_sum   'Ca8 Yb8 Si4 N16'
_cell_volume   518.30262263
_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  0.85284019  0.85160159  0.77126531  1.0
  Ca  Ca1  1  0.35284019  0.14839841  0.72873469  1.0
  Ca  Ca2  1  0.14715981  0.14839841  0.22873469  1.0
  Ca  Ca3  1  0.64715981  0.85160159  0.27126531  1.0
  Ca  Ca4  1  0.25681491  0.91875572  0.54469164  1.0
  Ca  Ca5  1  0.75681491  0.08124428  0.95530836  1.0
  Ca  Ca6  1  0.74318509  0.08124428  0.45530836  1.0
  Ca  Ca7  1  0.24318509  0.91875572  0.04469164  1.0
  Yb  Yb8  1  0.92793233  0.35235875  0.65589076  1.0
  Yb  Yb9  1  0.42793233  0.64764125  0.84410924  1.0
  Yb  Yb10  1  0.07206767  0.64764125  0.34410924  1.0
  Yb  Yb11  1  0.57206767  0.35235875  0.15589076  1.0
  Yb  Yb12  1  0.92017506  0.45299569  0.87852723  1.0
  Yb  Yb13  1  0.42017506  0.54700431  0.62147277  1.0
  Yb  Yb14  1  0.07982494  0.54700431  0.12147277  1.0
  Yb  Yb15  1  0.57982494  0.45299569  0.37852723  1.0
  Si  Si16  1  0.85623336  0.72817346  0.54986775  1.0
  Si  Si17  1  0.35623336  0.27182654  0.95013225  1.0
  Si  Si18  1  0.14376664  0.27182654  0.45013225  1.0
  Si  Si19  1  0.64376664  0.72817346  0.04986775  1.0
  N  N20  1  0.74522037  0.58814156  0.98969482  1.0
  N  N21  1  0.24522037  0.41185844  0.51030518  1.0
  N  N22  1  0.25477963  0.41185844  0.01030518  1.0
  N  N23  1  0.75477963  0.58814156  0.48969482  1.0
  N  N24  1  0.07049992  0.65730044  0.67783326  1.0
  N  N25  1  0.57049992  0.34269956  0.82216674  1.0
  N  N26  1  0.92950008  0.34269956  0.32216674  1.0
  N  N27  1  0.42950008  0.65730044  0.17783326  1.0
  N  N28  1  0.62126000  0.79683231  0.61194348  1.0
  N  N29  1  0.12126000  0.20316769  0.88805652  1.0
  N  N30  1  0.37874000  0.20316769  0.38805652  1.0
  N  N31  1  0.87874000  0.79683231  0.11194348  1.0
  N  N32  1  0.52527443  0.89331374  0.89454278  1.0
  N  N33  1  0.02527443  0.10668626  0.60545722  1.0
  N  N34  1  0.47472557  0.10668626  0.10545722  1.0
  N  N35  1  0.97472557  0.89331374  0.39454278  1.0