# generated using pymatgen data_Sm3Ho2Pb3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32393798 _cell_length_b 9.32393893 _cell_length_c 6.76500316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ho2Pb3Br _chemical_formula_sum 'Sm6 Ho4 Pb6 Br2' _cell_volume 509.32782335 _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 0.73086750 0.00000000 0.75000000 1.0 Sm Sm1 1 0.00000000 0.26913250 0.25000000 1.0 Sm Sm2 1 0.73086750 0.73086750 0.25000000 1.0 Sm Sm3 1 0.26913250 0.00000000 0.25000000 1.0 Sm Sm4 1 0.26913250 0.26913250 0.75000000 1.0 Sm Sm5 1 0.00000000 0.73086750 0.75000000 1.0 Ho Ho6 1 0.33333300 0.66666700 0.50000000 1.0 Ho Ho7 1 0.33333300 0.66666700 0.00000000 1.0 Ho Ho8 1 0.66666700 0.33333300 0.50000000 1.0 Ho Ho9 1 0.66666700 0.33333300 0.00000000 1.0 Pb Pb10 1 0.38972156 1.00000000 0.75000000 1.0 Pb Pb11 1 0.61027844 0.00000000 0.25000000 1.0 Pb Pb12 1 0.00000000 0.61027844 0.25000000 1.0 Pb Pb13 1 0.61027844 0.61027844 0.75000000 1.0 Pb Pb14 1 0.00000000 0.38972156 0.75000000 1.0 Pb Pb15 1 0.38972156 0.38972156 0.25000000 1.0 Br Br16 1 0.00000000 0.00000000 0.50000000 1.0 Br Br17 1 0.00000000 0.00000000 0.00000000 1.0