# generated using pymatgen
data_CaYb3(HgN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88472314
_cell_length_b   9.88472322
_cell_length_c   4.89954867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   160.16887819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb3(HgN)2
_chemical_formula_sum   'Ca1 Yb3 Hg2 N2'
_cell_volume   162.40656960
_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  0.61747559  0.38252441  0.25000000  1.0
  Yb  Yb1  1  0.21981700  0.78018300  0.75000000  1.0
  Yb  Yb2  1  0.78237411  0.21762589  0.25000000  1.0
  Yb  Yb3  1  0.38250038  0.61749962  0.75000000  1.0
  Hg  Hg4  1  0.04218946  0.95781054  0.75000000  1.0
  Hg  Hg5  1  0.95241600  0.04758400  0.25000000  1.0
  N  N6  1  0.80240887  0.19759113  0.75000000  1.0
  N  N7  1  0.20081759  0.79918241  0.25000000  1.0