# generated using pymatgen data_Er2BeNiI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92331471 _cell_length_b 3.92331500 _cell_length_c 16.43899466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998069 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2BeNiI _chemical_formula_sum 'Er4 Be2 Ni2 I2' _cell_volume 219.13527621 _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 0.00000000 0.00000000 0.60100424 1.0 Er Er1 1 0.00000000 0.00000000 0.39920938 1.0 Er Er2 1 0.00000000 0.00000000 0.10100424 1.0 Er Er3 1 0.00000000 0.00000000 0.89920938 1.0 Be Be4 1 0.66666700 0.33333300 0.50158068 1.0 Be Be5 1 0.33333300 0.66666700 0.00158068 1.0 Ni Ni6 1 0.66666700 0.33333300 0.99811480 1.0 Ni Ni7 1 0.33333300 0.66666700 0.49811480 1.0 I I8 1 0.66666700 0.33333300 0.25009090 1.0 I I9 1 0.33333300 0.66666700 0.75009090 1.0