# generated using pymatgen data_Na3ThB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14114618 _cell_length_b 4.14114618 _cell_length_c 16.57553016 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3ThB24 _chemical_formula_sum 'Na3 Th1 B24' _cell_volume 284.25528643 _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 Na Na0 1 0.50000000 0.50000000 0.26800025 1.0 Na Na1 1 0.50000000 0.50000000 0.50000000 1.0 Na Na2 1 0.50000000 0.50000000 0.73199975 1.0 Th Th3 1 0.50000000 0.50000000 0.00000000 1.0 B B4 1 0.00000000 -0.00000000 0.04934006 1.0 B B5 1 0.00000000 -0.00000000 0.30006994 1.0 B B6 1 0.00000000 -0.00000000 0.54939252 1.0 B B7 1 0.00000000 -0.00000000 0.80029495 1.0 B B8 1 0.00000000 0.29884722 0.87625998 1.0 B B9 1 0.00000000 0.29884722 0.12374002 1.0 B B10 1 0.00000000 0.30139689 0.37506177 1.0 B B11 1 0.00000000 0.30139689 0.62493823 1.0 B B12 1 0.29884722 -0.00000000 0.87625998 1.0 B B13 1 0.29884722 -0.00000000 0.12374002 1.0 B B14 1 0.30139689 -0.00000000 0.37506177 1.0 B B15 1 0.30139689 -0.00000000 0.62493823 1.0 B B16 1 0.00000000 -0.00000000 0.95065994 1.0 B B17 1 0.00000000 -0.00000000 0.19970505 1.0 B B18 1 0.00000000 -0.00000000 0.45060748 1.0 B B19 1 0.00000000 -0.00000000 0.69993006 1.0 B B20 1 0.00000000 0.70115278 0.87625998 1.0 B B21 1 0.00000000 0.70115278 0.12374002 1.0 B B22 1 0.00000000 0.69860311 0.37506177 1.0 B B23 1 0.00000000 0.69860311 0.62493823 1.0 B B24 1 0.70115278 -0.00000000 0.87625998 1.0 B B25 1 0.70115278 -0.00000000 0.12374002 1.0 B B26 1 0.69860311 -0.00000000 0.37506177 1.0 B B27 1 0.69860311 -0.00000000 0.62493823 1.0