# generated using pymatgen
data_SmHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69798405
_cell_length_b   6.69798314
_cell_length_c   4.99613552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmHg3
_chemical_formula_sum   'Sm2 Hg6'
_cell_volume   194.11223947
_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
  Sm  Sm0  1  0.33333400  0.66666700  0.75000000  1.0
  Sm  Sm1  1  0.66666700  0.33333400  0.24999900  1.0
  Hg  Hg2  1  0.16363911  0.32727821  0.24999900  1.0
  Hg  Hg3  1  0.67272079  0.83635989  0.24999900  1.0
  Hg  Hg4  1  0.16364011  0.83635989  0.24999900  1.0
  Hg  Hg5  1  0.83635989  0.67272279  0.75000000  1.0
  Hg  Hg6  1  0.32727921  0.16364111  0.75000000  1.0
  Hg  Hg7  1  0.83635989  0.16364111  0.75000000  1.0