# generated using pymatgen
data_Ca12HgPb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93366267
_cell_length_b   6.93378212
_cell_length_c   9.85935449
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01056392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12HgPb3N4
_chemical_formula_sum   'Ca12 Hg1 Pb3 N4'
_cell_volume   474.00330955
_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  0.00041610  0.49971270  0.25000000  1.0
  Ca  Ca1  1  0.49955404  0.00026838  0.25000000  1.0
  Ca  Ca2  1  0.50037530  0.99978267  0.75000000  1.0
  Ca  Ca3  1  0.99964972  0.50023438  0.75000000  1.0
  Ca  Ca4  1  0.74293203  0.25706629  0.99154923  1.0
  Ca  Ca5  1  0.74391957  0.74392176  0.50823045  1.0
  Ca  Ca6  1  0.25609616  0.25609254  0.99109330  1.0
  Ca  Ca7  1  0.25706619  0.74293698  0.50860586  1.0
  Ca  Ca8  1  0.25706619  0.74293698  0.99139414  1.0
  Ca  Ca9  1  0.25609616  0.25609254  0.50890670  1.0
  Ca  Ca10  1  0.74391957  0.74392176  0.99176955  1.0
  Ca  Ca11  1  0.74293203  0.25706629  0.50845077  1.0
  Hg  Hg12  1  0.99990239  0.99991758  0.25000000  1.0
  Pb  Pb13  1  0.00001441  0.00001075  0.75000000  1.0
  Pb  Pb14  1  0.50004300  0.50002693  0.75000000  1.0
  Pb  Pb15  1  0.50000983  0.50000401  0.25000000  1.0
  N  N16  1  0.49998779  0.00001329  0.49542808  1.0
  N  N17  1  0.00001587  0.49999092  0.00457300  1.0
  N  N18  1  0.00001587  0.49999092  0.49542700  1.0
  N  N19  1  0.49998779  0.00001329  0.00457192  1.0