# generated using pymatgen
data_Ca2HgN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.06925185
_cell_length_b   10.06925299
_cell_length_c   4.96104732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   159.93413215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2HgN
_chemical_formula_sum   'Ca4 Hg2 N2'
_cell_volume   172.57933623
_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  0.21831142  0.78168858  0.75000000  1.0
  Ca  Ca1  1  0.78168858  0.21831142  0.25000000  1.0
  Ca  Ca2  1  0.38227510  0.61772490  0.75000000  1.0
  Ca  Ca3  1  0.61772490  0.38227510  0.25000000  1.0
  Hg  Hg4  1  0.04270683  0.95729317  0.75000000  1.0
  Hg  Hg5  1  0.95729317  0.04270683  0.25000000  1.0
  N  N6  1  0.80219435  0.19780565  0.75000000  1.0
  N  N7  1  0.19780565  0.80219435  0.25000000  1.0