# generated using pymatgen
data_NaCa12Sn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97423428
_cell_length_b   6.97417690
_cell_length_c   9.83993003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99777331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa12Sn3N4
_chemical_formula_sum   'Na1 Ca12 Sn3 N4'
_cell_volume   478.60970514
_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
  Na  Na0  1  0.99941216  0.00005551  0.25000000  1.0
  Ca  Ca1  1  0.00106432  0.49989391  0.25000000  1.0
  Ca  Ca2  1  0.49916351  0.00020569  0.25000000  1.0
  Ca  Ca3  1  0.50105993  0.99982979  0.75000000  1.0
  Ca  Ca4  1  0.99918553  0.50019643  0.75000000  1.0
  Ca  Ca5  1  0.74224575  0.25775267  0.98887803  1.0
  Ca  Ca6  1  0.74304888  0.74303903  0.51113997  1.0
  Ca  Ca7  1  0.25679364  0.25678429  0.98775910  1.0
  Ca  Ca8  1  0.25765001  0.74234887  0.51184881  1.0
  Ca  Ca9  1  0.25765001  0.74234887  0.98815119  1.0
  Ca  Ca10  1  0.25679364  0.25678429  0.51224090  1.0
  Ca  Ca11  1  0.74304888  0.74303903  0.98886003  1.0
  Ca  Ca12  1  0.74224575  0.25775267  0.51112197  1.0
  Sn  Sn13  1  0.00004445  0.00000731  0.75000000  1.0
  Sn  Sn14  1  0.50033978  0.50004622  0.75000000  1.0
  Sn  Sn15  1  0.50011375  0.49993231  0.25000000  1.0
  N  N16  1  0.49998344  0.00001118  0.49680025  1.0
  N  N17  1  0.00008757  0.49998087  0.00320331  1.0
  N  N18  1  0.00008757  0.49998087  0.49679669  1.0
  N  N19  1  0.49998344  0.00001118  0.00319975  1.0