# generated using pymatgen data_Nd4BeOs3I2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20440468 _cell_length_b 4.20440332 _cell_length_c 17.65672488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999494 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4BeOs3I2 _chemical_formula_sum 'Nd4 Be1 Os3 I2' _cell_volume 270.30226507 _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 Nd Nd0 1 0.00000000 0.00000000 0.11189708 1.0 Nd Nd1 1 0.00000000 0.00000000 0.88783846 1.0 Nd Nd2 1 0.00000000 0.00000000 0.59907935 1.0 Nd Nd3 1 0.00000000 0.00000000 0.40074285 1.0 Be Be4 1 0.33333300 0.66666700 0.50015574 1.0 Os Os5 1 0.66666700 0.33333300 0.49984258 1.0 Os Os6 1 0.66666700 0.33333300 0.01296245 1.0 Os Os7 1 0.33333300 0.66666700 0.98731485 1.0 I I8 1 0.33333300 0.66666700 0.25217406 1.0 I I9 1 0.66666700 0.33333300 0.74799259 1.0