# generated using pymatgen
data_Ca12BiPb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93844179
_cell_length_b   6.93684831
_cell_length_c   9.83904094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96912138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12BiPb3N4
_chemical_formula_sum   'Ca12 Bi1 Pb3 N4'
_cell_volume   473.56200656
_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  0.00044171  0.49973019  0.25000000  1.0
  Ca  Ca1  1  0.49955056  0.00025717  0.25000000  1.0
  Ca  Ca2  1  0.50044298  0.99972476  0.75000000  1.0
  Ca  Ca3  1  0.99957349  0.50031718  0.75000000  1.0
  Ca  Ca4  1  0.74970680  0.24984711  0.00236255  1.0
  Ca  Ca5  1  0.75088852  0.75133178  0.49731522  1.0
  Ca  Ca6  1  0.24908199  0.24863757  0.00184921  1.0
  Ca  Ca7  1  0.25029118  0.75015319  0.49782269  1.0
  Ca  Ca8  1  0.25029118  0.75015319  0.00217731  1.0
  Ca  Ca9  1  0.24908199  0.24863757  0.49815079  1.0
  Ca  Ca10  1  0.75088852  0.75133178  0.00268478  1.0
  Ca  Ca11  1  0.74970680  0.24984711  0.49763745  1.0
  Bi  Bi12  1  0.00003908  0.00002267  0.25000000  1.0
  Pb  Pb13  1  0.00012633  0.99995601  0.75000000  1.0
  Pb  Pb14  1  0.49985370  0.49996942  0.75000000  1.0
  Pb  Pb15  1  0.50004776  0.50008651  0.25000000  1.0
  N  N16  1  0.49998641  0.99999595  0.49981080  1.0
  N  N17  1  0.00000679  0.50000045  0.99976333  1.0
  N  N18  1  0.00000679  0.50000045  0.50023667  1.0
  N  N19  1  0.49998641  0.99999595  0.00018920  1.0