# generated using pymatgen
data_Na2Ca5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90889103
_cell_length_b   7.90889103
_cell_length_c   14.96503307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Ca5N4
_chemical_formula_sum   'Na8 Ca20 N16'
_cell_volume   936.07115891
_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
  Na  Na0  1  0.09389271  0.90610729  0.25000000  1.0
  Na  Na1  1  0.40610729  0.90610729  0.75000000  1.0
  Na  Na2  1  0.09389271  0.59389271  0.75000000  1.0
  Na  Na3  1  0.40610729  0.59389271  0.25000000  1.0
  Na  Na4  1  0.90610729  0.09389271  0.75000000  1.0
  Na  Na5  1  0.59389271  0.09389271  0.25000000  1.0
  Na  Na6  1  0.90610729  0.40610729  0.25000000  1.0
  Na  Na7  1  0.59389271  0.40610729  0.75000000  1.0
  Ca  Ca8  1  0.75000000  0.75000000  0.39258752  1.0
  Ca  Ca9  1  0.75000000  0.75000000  0.89258752  1.0
  Ca  Ca10  1  0.25000000  0.25000000  0.60741248  1.0
  Ca  Ca11  1  0.25000000  0.25000000  0.10741248  1.0
  Ca  Ca12  1  0.13379794  0.57732138  0.42607280  1.0
  Ca  Ca13  1  0.36620206  0.57732138  0.92607280  1.0
  Ca  Ca14  1  0.13379794  0.92267862  0.92607280  1.0
  Ca  Ca15  1  0.36620206  0.92267862  0.42607280  1.0
  Ca  Ca16  1  0.57732138  0.13379794  0.92607280  1.0
  Ca  Ca17  1  0.92267862  0.13379794  0.42607280  1.0
  Ca  Ca18  1  0.57732138  0.36620206  0.42607280  1.0
  Ca  Ca19  1  0.92267862  0.36620206  0.92607280  1.0
  Ca  Ca20  1  0.86620206  0.42267862  0.57392720  1.0
  Ca  Ca21  1  0.63379794  0.42267862  0.07392720  1.0
  Ca  Ca22  1  0.86620206  0.07732138  0.07392720  1.0
  Ca  Ca23  1  0.63379794  0.07732138  0.57392720  1.0
  Ca  Ca24  1  0.42267862  0.86620206  0.07392720  1.0
  Ca  Ca25  1  0.07732138  0.86620206  0.57392720  1.0
  Ca  Ca26  1  0.42267862  0.63379794  0.57392720  1.0
  Ca  Ca27  1  0.07732138  0.63379794  0.07392720  1.0
  N  N28  1  0.63485003  0.05320809  0.40788068  1.0
  N  N29  1  0.86514997  0.05320809  0.90788068  1.0
  N  N30  1  0.63485003  0.44679191  0.90788068  1.0
  N  N31  1  0.86514997  0.44679191  0.40788068  1.0
  N  N32  1  0.05320809  0.63485003  0.90788068  1.0
  N  N33  1  0.44679191  0.63485003  0.40788068  1.0
  N  N34  1  0.05320809  0.86514997  0.40788068  1.0
  N  N35  1  0.44679191  0.86514997  0.90788068  1.0
  N  N36  1  0.36514997  0.94679191  0.59211932  1.0
  N  N37  1  0.13485003  0.94679191  0.09211932  1.0
  N  N38  1  0.36514997  0.55320809  0.09211932  1.0
  N  N39  1  0.13485003  0.55320809  0.59211932  1.0
  N  N40  1  0.94679191  0.36514997  0.09211932  1.0
  N  N41  1  0.55320809  0.36514997  0.59211932  1.0
  N  N42  1  0.94679191  0.13485003  0.59211932  1.0
  N  N43  1  0.55320809  0.13485003  0.09211932  1.0