# generated using pymatgen data_TiBe12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22878591 _cell_length_b 4.22878591 _cell_length_c 7.32914900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999860 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe12 _chemical_formula_sum 'Ti1 Be12' _cell_volume 113.50515507 _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 Ti Ti0 1 0.00000000 0.00000000 0.00000000 1.0 Be Be1 1 0.33333300 0.66666700 0.00000000 1.0 Be Be2 1 0.66666700 0.33333300 0.00000000 1.0 Be Be3 1 0.33333300 0.66666700 0.50000000 1.0 Be Be4 1 0.66666700 0.33333300 0.50000000 1.0 Be Be5 1 0.00000000 0.00000000 0.34749400 1.0 Be Be6 1 0.00000000 0.00000000 0.65250600 1.0 Be Be7 1 0.50000000 0.00000000 0.24055600 1.0 Be Be8 1 0.50000000 0.50000000 0.24055600 1.0 Be Be9 1 0.00000000 0.50000000 0.24055600 1.0 Be Be10 1 0.50000000 0.00000000 0.75944400 1.0 Be Be11 1 0.50000000 0.50000000 0.75944400 1.0 Be Be12 1 0.00000000 0.50000000 0.75944400 1.0