# generated using pymatgen data_Be3Nb10BAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42288145 _cell_length_b 7.42288200 _cell_length_c 7.44304115 _cell_angle_alpha 128.87125218 _cell_angle_beta 128.87125387 _cell_angle_gamma 75.01574307 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Nb10BAs2 _chemical_formula_sum 'Be3 Nb10 B1 As2' _cell_volume 242.31531538 _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 0.11936316 0.61928845 0.73864961 1.0 Be Be1 1 0.88071155 0.38063684 0.26135039 1.0 Be Be2 1 0.61677513 0.88322487 0.50000000 1.0 Nb Nb3 1 0.00246920 0.00029486 0.00276507 1.0 Nb Nb4 1 0.49970514 0.49753080 0.99723493 1.0 Nb Nb5 1 0.80348353 0.30738141 0.83211040 1.0 Nb Nb6 1 0.19261859 0.69651647 0.16788960 1.0 Nb Nb7 1 0.47137314 0.97527101 0.16788960 1.0 Nb Nb8 1 0.31319714 0.46345385 0.50000000 1.0 Nb Nb9 1 0.03654615 0.18680286 0.50000000 1.0 Nb Nb10 1 0.52472899 0.02862686 0.83211040 1.0 Nb Nb11 1 0.68810312 0.52835202 0.50000000 1.0 Nb Nb12 1 0.97164798 0.81189688 0.50000000 1.0 B B13 1 0.38345180 0.11654820 0.50000000 1.0 As As14 1 0.24791270 0.25208730 1.00000000 1.0 As As15 1 0.74791270 0.75208730 1.00000000 1.0