# generated using pymatgen data_BaBe13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52692449 _cell_length_b 7.52692457 _cell_length_c 7.52712069 _cell_angle_alpha 59.99914711 _cell_angle_beta 59.99914673 _cell_angle_gamma 59.99823914 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBe13 _chemical_formula_sum 'Ba2 Be26' _cell_volume 301.53492802 _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 Ba Ba0 1 0.75000000 0.75000000 0.75000000 1.0 Ba Ba1 1 0.25000000 0.25000000 0.25000000 1.0 Be Be2 1 0.93347030 0.28146992 0.71850782 1.0 Be Be3 1 0.71853008 0.06652970 0.93344804 1.0 Be Be4 1 -0.00000000 0.00000000 0.00000000 1.0 Be Be5 1 0.50000000 0.50000000 0.50000000 1.0 Be Be6 1 0.28146992 0.93347030 0.06655196 1.0 Be Be7 1 0.56654549 0.43345451 0.78144570 1.0 Be Be8 1 0.78151499 0.21848501 0.56653683 1.0 Be Be9 1 0.56654687 0.78147511 0.21851288 1.0 Be Be10 1 0.43345313 0.21852489 0.78148712 1.0 Be Be11 1 0.43347030 0.78146992 0.56655196 1.0 Be Be12 1 0.78146992 0.43347030 0.21850782 1.0 Be Be13 1 0.06654687 0.28147511 0.93346515 1.0 Be Be14 1 0.93345451 0.06654549 0.28144570 1.0 Be Be15 1 0.71848501 0.28151499 0.06653683 1.0 Be Be16 1 0.93345313 0.71852489 0.06653485 1.0 Be Be17 1 0.71852489 0.93345313 0.28148712 1.0 Be Be18 1 0.06654549 0.93345451 0.71855430 1.0 Be Be19 1 0.28147511 0.06654687 0.71851288 1.0 Be Be20 1 0.28151499 0.71848501 0.93346317 1.0 Be Be21 1 0.78147511 0.56654687 0.43346515 1.0 Be Be22 1 0.21848501 0.78151499 0.43346317 1.0 Be Be23 1 0.21853008 0.56652970 0.78149218 1.0 Be Be24 1 0.56652970 0.21853008 0.43344804 1.0 Be Be25 1 0.43345451 0.56654549 0.21855430 1.0 Be Be26 1 0.21852489 0.43345313 0.56653485 1.0 Be Be27 1 0.06652970 0.71853008 0.28149218 1.0