# generated using pymatgen
data_Ca12Sn3HgN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91442308
_cell_length_b   6.91431324
_cell_length_c   9.82004671
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01616601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12Sn3HgN4
_chemical_formula_sum   'Ca12 Sn3 Hg1 N4'
_cell_volume   469.48155764
_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  0.00188586  0.49963861  0.25000000  1.0
  Ca  Ca1  1  0.49811574  0.00037604  0.25000000  1.0
  Ca  Ca2  1  0.50172479  0.99965694  0.75000000  1.0
  Ca  Ca3  1  0.99835820  0.50032675  0.75000000  1.0
  Ca  Ca4  1  0.74192987  0.25804039  0.99130590  1.0
  Ca  Ca5  1  0.74372908  0.74374371  0.50847057  1.0
  Ca  Ca6  1  0.25618490  0.25619649  0.98941452  1.0
  Ca  Ca7  1  0.25798862  0.74198511  0.51012574  1.0
  Ca  Ca8  1  0.25798862  0.74198511  0.98987426  1.0
  Ca  Ca9  1  0.25618490  0.25619649  0.51058548  1.0
  Ca  Ca10  1  0.74372908  0.74374371  0.99152943  1.0
  Ca  Ca11  1  0.74192987  0.25804039  0.50869410  1.0
  Sn  Sn12  1  0.00009381  0.99993957  0.75000000  1.0
  Sn  Sn13  1  0.50052974  0.50006384  0.75000000  1.0
  Sn  Sn14  1  0.50019388  0.50005975  0.25000000  1.0
  Hg  Hg15  1  0.99946728  0.00003436  0.25000000  1.0
  N  N16  1  0.49989574  0.00001190  0.49539259  1.0
  N  N17  1  0.00008864  0.49997347  0.00460798  1.0
  N  N18  1  0.00008864  0.49997347  0.49539202  1.0
  N  N19  1  0.49989574  0.00001190  0.00460741  1.0