# generated using pymatgen data_BeNi20(GeB3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31973052 _cell_length_b 7.31973077 _cell_length_c 7.31973139 _cell_angle_alpha 60.00000162 _cell_angle_beta 60.00000049 _cell_angle_gamma 60.00000146 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNi20(GeB3)2 _chemical_formula_sum 'Be1 Ni20 Ge2 B6' _cell_volume 277.31308234 _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 Be Be0 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.33339228 1.00000000 0.00000000 1.0 Ni Ni2 1 0.66660772 0.00000000 1.00000000 1.0 Ni Ni3 1 0.00000000 0.33339228 0.66660772 1.0 Ni Ni4 1 0.00000000 0.66660772 0.33339228 1.0 Ni Ni5 1 1.00000000 0.33339228 0.00000000 1.0 Ni Ni6 1 0.66660772 1.00000000 0.33339228 1.0 Ni Ni7 1 0.00000000 0.66660772 1.00000000 1.0 Ni Ni8 1 0.33339228 0.00000000 0.66660772 1.0 Ni Ni9 1 1.00000000 1.00000000 0.33339228 1.0 Ni Ni10 1 0.00000000 0.00000000 0.66660772 1.0 Ni Ni11 1 0.66660772 0.33339228 1.00000000 1.0 Ni Ni12 1 0.33339228 0.66660772 0.00000000 1.0 Ni Ni13 1 0.38065497 0.38065497 0.38065497 1.0 Ni Ni14 1 0.61934503 0.61934503 0.61934503 1.0 Ni Ni15 1 0.38065497 0.38065497 0.85803409 1.0 Ni Ni16 1 0.38065497 0.85803409 0.38065497 1.0 Ni Ni17 1 0.61934503 0.61934503 0.14196591 1.0 Ni Ni18 1 0.61934503 0.14196591 0.61934503 1.0 Ni Ni19 1 0.85803409 0.38065497 0.38065497 1.0 Ni Ni20 1 0.14196591 0.61934503 0.61934503 1.0 Ge Ge21 1 0.25000000 0.25000000 0.25000000 1.0 Ge Ge22 1 0.75000000 0.75000000 0.75000000 1.0 B B23 1 0.72531989 0.27468011 0.27468011 1.0 B B24 1 0.27468011 0.72531989 0.72531989 1.0 B B25 1 0.27468011 0.72531989 0.27468011 1.0 B B26 1 0.72531989 0.27468011 0.72531989 1.0 B B27 1 0.27468011 0.27468011 0.72531989 1.0 B B28 1 0.72531989 0.72531989 0.27468011 1.0