# generated using pymatgen
data_Er3Sn3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40679005
_cell_length_b   6.40678917
_cell_length_c   9.92728246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.66259106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Sn3Hg2
_chemical_formula_sum   'Er6 Sn6 Hg4'
_cell_volume   395.95432615
_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
  Er  Er0  1  0.62642072  0.62642072  0.25000000  1.0
  Er  Er1  1  0.37357928  0.37357928  0.75000000  1.0
  Er  Er2  1  0.20395042  0.79604958  0.50000000  1.0
  Er  Er3  1  0.20395042  0.79604958  0.00000000  1.0
  Er  Er4  1  0.79604958  0.20395042  0.50000000  1.0
  Er  Er5  1  0.79604958  0.20395042  0.00000000  1.0
  Sn  Sn6  1  0.01119089  0.01119089  0.25000000  1.0
  Sn  Sn7  1  0.98880911  0.98880911  0.75000000  1.0
  Sn  Sn8  1  0.49257228  0.06200485  0.25000000  1.0
  Sn  Sn9  1  0.93799515  0.50742772  0.75000000  1.0
  Sn  Sn10  1  0.50742772  0.93799515  0.75000000  1.0
  Sn  Sn11  1  0.06200485  0.49257228  0.25000000  1.0
  Hg  Hg12  1  0.30987171  0.30987171  0.03986282  1.0
  Hg  Hg13  1  0.69012829  0.69012829  0.96013718  1.0
  Hg  Hg14  1  0.30987171  0.30987171  0.46013718  1.0
  Hg  Hg15  1  0.69012829  0.69012829  0.53986282  1.0