# generated using pymatgen data_Ca(Er2B15)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09545700 _cell_length_b 4.09545700 _cell_length_c 20.47222000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(Er2B15)2 _chemical_formula_sum 'Ca1 Er4 B30' _cell_volume 343.37579730 _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 Ca Ca0 1 0.00000000 0.00000000 0.00000000 1.0 Er Er1 1 0.00000000 0.00000000 0.20010800 1.0 Er Er2 1 0.00000000 0.00000000 0.39994100 1.0 Er Er3 1 0.00000000 0.00000000 0.60005900 1.0 Er Er4 1 0.00000000 0.00000000 0.79989200 1.0 B B5 1 0.50000000 0.50000000 0.16056200 1.0 B B6 1 0.50000000 0.50000000 0.36027400 1.0 B B7 1 0.50000000 0.50000000 0.56013400 1.0 B B8 1 0.50000000 0.50000000 0.75987800 1.0 B B9 1 0.50000000 0.50000000 0.95976800 1.0 B B10 1 0.50000000 0.19984400 0.10077300 1.0 B B11 1 0.50000000 0.19924500 0.30008000 1.0 B B12 1 0.50000000 0.19925700 0.50000000 1.0 B B13 1 0.50000000 0.19924500 0.69992000 1.0 B B14 1 0.50000000 0.19984400 0.89922700 1.0 B B15 1 0.19984400 0.50000000 0.10077300 1.0 B B16 1 0.19924500 0.50000000 0.30008000 1.0 B B17 1 0.19925700 0.50000000 0.50000000 1.0 B B18 1 0.19924500 0.50000000 0.69992000 1.0 B B19 1 0.19984400 0.50000000 0.89922700 1.0 B B20 1 0.50000000 0.50000000 0.04023200 1.0 B B21 1 0.50000000 0.50000000 0.24012200 1.0 B B22 1 0.50000000 0.50000000 0.43986600 1.0 B B23 1 0.50000000 0.50000000 0.63972600 1.0 B B24 1 0.50000000 0.50000000 0.83943800 1.0 B B25 1 0.50000000 0.80015600 0.10077300 1.0 B B26 1 0.50000000 0.80075500 0.30008000 1.0 B B27 1 0.50000000 0.80074300 0.50000000 1.0 B B28 1 0.50000000 0.80075500 0.69992000 1.0 B B29 1 0.50000000 0.80015600 0.89922700 1.0 B B30 1 0.80015600 0.50000000 0.10077300 1.0 B B31 1 0.80075500 0.50000000 0.30008000 1.0 B B32 1 0.80074300 0.50000000 0.50000000 1.0 B B33 1 0.80075500 0.50000000 0.69992000 1.0 B B34 1 0.80015600 0.50000000 0.89922700 1.0