# generated using pymatgen data_K2CaErB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15595999 _cell_length_b 4.15595999 _cell_length_c 16.65287294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaErB24 _chemical_formula_sum 'K2 Ca1 Er1 B24' _cell_volume 287.62847808 _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 K K0 1 0.00000000 0.00000000 0.25071875 1.0 K K1 1 0.00000000 0.00000000 0.74928125 1.0 Ca Ca2 1 0.00000000 0.00000000 0.50000000 1.0 Er Er3 1 0.00000000 0.00000000 0.00000000 1.0 B B4 1 0.20142448 0.50000000 0.12160261 1.0 B B5 1 0.20019316 0.50000000 0.37609619 1.0 B B6 1 0.20019316 0.50000000 0.62390381 1.0 B B7 1 0.20142448 0.50000000 0.87839739 1.0 B B8 1 0.50000000 0.50000000 0.19772711 1.0 B B9 1 0.50000000 0.50000000 0.45055159 1.0 B B10 1 0.50000000 0.50000000 0.69939631 1.0 B B11 1 0.50000000 0.50000000 0.95124991 1.0 B B12 1 0.50000000 0.20142448 0.12160261 1.0 B B13 1 0.50000000 0.20019316 0.37609619 1.0 B B14 1 0.50000000 0.20019316 0.62390381 1.0 B B15 1 0.50000000 0.20142448 0.87839739 1.0 B B16 1 0.50000000 0.50000000 0.04875009 1.0 B B17 1 0.50000000 0.50000000 0.30060369 1.0 B B18 1 0.50000000 0.50000000 0.54944841 1.0 B B19 1 0.50000000 0.50000000 0.80227289 1.0 B B20 1 0.50000000 0.79857552 0.12160261 1.0 B B21 1 0.50000000 0.79980684 0.37609619 1.0 B B22 1 0.50000000 0.79980684 0.62390381 1.0 B B23 1 0.50000000 0.79857552 0.87839739 1.0 B B24 1 0.79857552 0.50000000 0.12160261 1.0 B B25 1 0.79980684 0.50000000 0.37609619 1.0 B B26 1 0.79980684 0.50000000 0.62390381 1.0 B B27 1 0.79857552 0.50000000 0.87839739 1.0