# generated using pymatgen
data_Ca3YbCN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54228358
_cell_length_b   11.37201358
_cell_length_c   13.72024111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3YbCN4
_chemical_formula_sum   'Ca12 Yb4 C4 N16'
_cell_volume   552.69105827
_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  0.25000000  0.87615370  0.38628161  1.0
  Ca  Ca1  1  0.75000000  0.12384630  0.61371839  1.0
  Ca  Ca2  1  0.25000000  0.37615370  0.11371839  1.0
  Ca  Ca3  1  0.75000000  0.62384630  0.88628161  1.0
  Ca  Ca4  1  0.25000000  0.37899593  0.53888449  1.0
  Ca  Ca5  1  0.75000000  0.62100407  0.46111551  1.0
  Ca  Ca6  1  0.25000000  0.87899593  0.96111551  1.0
  Ca  Ca7  1  0.75000000  0.12100407  0.03888449  1.0
  Ca  Ca8  1  0.25000000  0.61088121  0.67551139  1.0
  Ca  Ca9  1  0.75000000  0.38911879  0.32448861  1.0
  Ca  Ca10  1  0.25000000  0.11088121  0.82448861  1.0
  Ca  Ca11  1  0.75000000  0.88911879  0.17551139  1.0
  Yb  Yb12  1  0.25000000  0.64090110  0.26073960  1.0
  Yb  Yb13  1  0.75000000  0.35909890  0.73926040  1.0
  Yb  Yb14  1  0.25000000  0.14090110  0.23926040  1.0
  Yb  Yb15  1  0.75000000  0.85909890  0.76073960  1.0
  C  C16  1  0.25000000  0.86133450  0.59190847  1.0
  C  C17  1  0.75000000  0.13866550  0.40809153  1.0
  C  C18  1  0.25000000  0.36133450  0.90809153  1.0
  C  C19  1  0.75000000  0.63866550  0.09190847  1.0
  N  N20  1  0.25000000  0.95578186  0.63692569  1.0
  N  N21  1  0.75000000  0.04421814  0.36307431  1.0
  N  N22  1  0.25000000  0.45578186  0.86307431  1.0
  N  N23  1  0.75000000  0.54421814  0.13692569  1.0
  N  N24  1  0.25000000  0.76773618  0.54640631  1.0
  N  N25  1  0.75000000  0.23226382  0.45359369  1.0
  N  N26  1  0.25000000  0.26773618  0.95359369  1.0
  N  N27  1  0.75000000  0.73226382  0.04640631  1.0
  N  N28  1  0.25000000  0.50295626  0.38147275  1.0
  N  N29  1  0.75000000  0.49704374  0.61852725  1.0
  N  N30  1  0.25000000  0.00295626  0.11852725  1.0
  N  N31  1  0.75000000  0.99704374  0.88147275  1.0
  N  N32  1  0.75000000  0.26370240  0.18278623  1.0
  N  N33  1  0.25000000  0.73629760  0.81721377  1.0
  N  N34  1  0.75000000  0.76370240  0.31721377  1.0
  N  N35  1  0.25000000  0.23629760  0.68278623  1.0