# generated using pymatgen
data_Y3Sn2Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28363328
_cell_length_b   6.28362283
_cell_length_c   10.40962401
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.13575847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sn2Hg3
_chemical_formula_sum   'Y6 Sn4 Hg6'
_cell_volume   403.27497292
_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
  Y  Y0  1  0.63110608  0.63110849  0.25000000  1.0
  Y  Y1  1  0.36889392  0.36889151  0.75000000  1.0
  Y  Y2  1  0.20135027  0.79865260  0.49999971  1.0
  Y  Y3  1  0.20135027  0.79865260  0.00000029  1.0
  Y  Y4  1  0.79864973  0.20134740  0.50000029  1.0
  Y  Y5  1  0.79864973  0.20134740  0.99999971  1.0
  Sn  Sn6  1  0.31079563  0.31080126  0.04566688  1.0
  Sn  Sn7  1  0.68920437  0.68919874  0.95433312  1.0
  Sn  Sn8  1  0.31079563  0.31080126  0.45433312  1.0
  Sn  Sn9  1  0.68920437  0.68919874  0.54566688  1.0
  Hg  Hg10  1  0.01214876  0.01215149  0.25000000  1.0
  Hg  Hg11  1  0.98785124  0.98784851  0.75000000  1.0
  Hg  Hg12  1  0.51593472  0.08073057  0.25000000  1.0
  Hg  Hg13  1  0.91927192  0.48406566  0.75000000  1.0
  Hg  Hg14  1  0.48406528  0.91926943  0.75000000  1.0
  Hg  Hg15  1  0.08072808  0.51593434  0.25000000  1.0