# generated using pymatgen
data_Ca13Sm(PbN4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62253574
_cell_length_b   11.95053107
_cell_length_c   11.48058753
_cell_angle_alpha   89.99661079
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca13Sm(PbN4)2
_chemical_formula_sum   'Ca13 Sm1 Pb2 N8'
_cell_volume   497.00870818
_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
  Ca  Ca0  1  0.50006944  0.66834023  0.24076090  1.0
  Ca  Ca1  1  0.50006944  0.33165977  0.75923910  1.0
  Ca  Ca2  1  0.49996810  0.16763014  0.26066656  1.0
  Ca  Ca3  1  0.49996810  0.83236986  0.73933344  1.0
  Ca  Ca4  1  0.49996889  0.00000000  0.50000000  1.0
  Ca  Ca5  1  0.00000356  0.92827910  0.26203832  1.0
  Ca  Ca6  1  0.00000356  0.07172090  0.73796168  1.0
  Ca  Ca7  1  0.99998032  0.42476623  0.24407227  1.0
  Ca  Ca8  1  0.99998032  0.57523377  0.75592773  1.0
  Ca  Ca9  1  0.99992518  0.76475772  0.47965509  1.0
  Ca  Ca10  1  0.99992518  0.23524228  0.52034491  1.0
  Ca  Ca11  1  0.00011690  0.25776738  0.02193942  1.0
  Ca  Ca12  1  0.00011690  0.74223262  0.97806058  1.0
  Sm  Sm13  1  0.50002735  0.50000000  0.00000000  1.0
  Pb  Pb14  1  0.49814649  0.50000000  0.50000000  1.0
  Pb  Pb15  1  0.50162706  0.00000000  0.00000000  1.0
  N  N16  1  0.00009191  0.59638110  0.12373695  1.0
  N  N17  1  0.00009191  0.40361890  0.87626305  1.0
  N  N18  1  0.99995165  0.10249793  0.36814723  1.0
  N  N19  1  0.99995165  0.89750207  0.63185277  1.0
  N  N20  1  0.49997248  0.83048424  0.35692653  1.0
  N  N21  1  0.49997248  0.16951576  0.64307347  1.0
  N  N22  1  0.50003657  0.33651156  0.13836568  1.0
  N  N23  1  0.50003657  0.66348844  0.86163432  1.0