# generated using pymatgen
data_Ca6NdPbN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65906699
_cell_length_b   11.88680138
_cell_length_c   11.43824144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6NdPbN4
_chemical_formula_sum   'Ca12 Nd2 Pb2 N8'
_cell_volume   497.50176476
_cell_formula_units_Z   2
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  0.50052349  0.66880530  0.24092535  1.0
  Ca  Ca1  1  0.50052349  0.33119470  0.75907465  1.0
  Ca  Ca2  1  0.49947651  0.16880530  0.25907465  1.0
  Ca  Ca3  1  0.49947651  0.83119470  0.74092535  1.0
  Ca  Ca4  1  0.00004317  0.92717329  0.25166571  1.0
  Ca  Ca5  1  0.00004317  0.07282671  0.74833429  1.0
  Ca  Ca6  1  0.99995683  0.42717329  0.24833429  1.0
  Ca  Ca7  1  0.99995683  0.57282671  0.75166571  1.0
  Ca  Ca8  1  0.00057766  0.75446892  0.47601860  1.0
  Ca  Ca9  1  0.00057766  0.24553108  0.52398140  1.0
  Ca  Ca10  1  0.99942234  0.25446892  0.02398140  1.0
  Ca  Ca11  1  0.99942234  0.74553108  0.97601860  1.0
  Nd  Nd12  1  0.49878222  0.50000000  0.00000000  1.0
  Nd  Nd13  1  0.50121778  0.00000000  0.50000000  1.0
  Pb  Pb14  1  0.50091245  0.50000000  0.50000000  1.0
  Pb  Pb15  1  0.49908755  0.00000000  0.00000000  1.0
  N  N16  1  0.00064015  0.60036065  0.12505356  1.0
  N  N17  1  0.00064015  0.39963935  0.87494644  1.0
  N  N18  1  0.99935985  0.10036065  0.37494644  1.0
  N  N19  1  0.99935985  0.89963935  0.62505356  1.0
  N  N20  1  0.50004833  0.83615683  0.35709422  1.0
  N  N21  1  0.50004833  0.16384317  0.64290578  1.0
  N  N22  1  0.49995167  0.33615683  0.14290578  1.0
  N  N23  1  0.49995167  0.66384317  0.85709422  1.0