# generated using pymatgen data_Sm3In3NiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85030641 _cell_length_b 7.85030500 _cell_length_c 4.02025507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3In3NiHg2 _chemical_formula_sum 'Sm3 In3 Ni1 Hg2' _cell_volume 214.56423615 _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 Sm Sm0 1 1.00000000 0.39105381 0.50000000 1.0 Sm Sm1 1 0.60894619 0.60894619 0.50000000 1.0 Sm Sm2 1 0.39105381 1.00000000 0.50000000 1.0 In In3 1 0.00000000 0.76339071 0.00000000 1.0 In In4 1 0.23660929 0.23660929 0.00000000 1.0 In In5 1 0.76339071 0.00000000 0.00000000 1.0 Ni Ni6 1 0.00000000 0.00000000 0.50000000 1.0 Hg Hg7 1 0.33333300 0.66666700 0.00000000 1.0 Hg Hg8 1 0.66666700 0.33333300 0.00000000 1.0