# generated using pymatgen data_Ba2SrThB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20226505 _cell_length_b 4.20226505 _cell_length_c 16.85703440 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrThB24 _chemical_formula_sum 'Ba2 Sr1 Th1 B24' _cell_volume 297.67890197 _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 Ba Ba0 1 0.50000000 0.50000000 0.25038231 1.0 Ba Ba1 1 0.50000000 0.50000000 0.74961769 1.0 Sr Sr2 1 0.50000000 0.50000000 0.50000000 1.0 Th Th3 1 0.50000000 0.50000000 0.00000000 1.0 B B4 1 0.00000000 0.00000000 0.04851149 1.0 B B5 1 0.00000000 0.00000000 0.30127453 1.0 B B6 1 0.00000000 0.00000000 0.55042853 1.0 B B7 1 0.00000000 0.00000000 0.80273665 1.0 B B8 1 0.00000000 0.29886015 0.87817080 1.0 B B9 1 0.00000000 0.29886015 0.12182920 1.0 B B10 1 0.00000000 0.29652138 0.37607232 1.0 B B11 1 0.00000000 0.29652138 0.62392768 1.0 B B12 1 0.29886015 0.00000000 0.87817080 1.0 B B13 1 0.29886015 0.00000000 0.12182920 1.0 B B14 1 0.29652138 0.00000000 0.37607232 1.0 B B15 1 0.29652138 0.00000000 0.62392768 1.0 B B16 1 0.00000000 0.00000000 0.95148851 1.0 B B17 1 0.00000000 0.00000000 0.19726335 1.0 B B18 1 0.00000000 0.00000000 0.44957147 1.0 B B19 1 0.00000000 0.00000000 0.69872547 1.0 B B20 1 0.00000000 0.70113985 0.87817080 1.0 B B21 1 0.00000000 0.70113985 0.12182920 1.0 B B22 1 0.00000000 0.70347862 0.37607232 1.0 B B23 1 0.00000000 0.70347862 0.62392768 1.0 B B24 1 0.70113985 0.00000000 0.87817080 1.0 B B25 1 0.70113985 0.00000000 0.12182920 1.0 B B26 1 0.70347862 0.00000000 0.37607232 1.0 B B27 1 0.70347862 0.00000000 0.62392768 1.0