# generated using pymatgen data_Nd9Th3(Si7Br3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09818368 _cell_length_b 11.65321909 _cell_length_c 16.58088125 _cell_angle_alpha 89.93908624 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd9Th3(Si7Br3)2 _chemical_formula_sum 'Nd9 Th3 Si14 Br6' _cell_volume 791.85323381 _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 Nd Nd0 1 0.50000000 0.34251899 0.50077777 1.0 Nd Nd1 1 0.00000000 0.65717452 0.00050124 1.0 Nd Nd2 1 0.00000000 0.64165811 0.74274653 1.0 Nd Nd3 1 0.50000000 0.35720268 0.24333220 1.0 Nd Nd4 1 0.00000000 0.64168975 0.25720343 1.0 Nd Nd5 1 0.50000000 0.06472296 0.88075353 1.0 Nd Nd6 1 0.00000000 0.93504725 0.61862524 1.0 Nd Nd7 1 0.50000000 0.06480043 0.11889832 1.0 Nd Nd8 1 0.00000000 0.93399517 0.38044533 1.0 Th Th9 1 0.50000000 0.36239830 0.75790689 1.0 Th Th10 1 0.50000000 0.35790461 0.00079818 1.0 Th Th11 1 0.00000000 0.64247415 0.50004783 1.0 Si Si12 1 0.00000000 0.15137370 0.99941612 1.0 Si Si13 1 0.50000000 0.84839237 0.49997580 1.0 Si Si14 1 0.50000000 0.57072509 0.87566716 1.0 Si Si15 1 0.00000000 0.42881075 0.62513381 1.0 Si Si16 1 0.50000000 0.56762348 0.12435541 1.0 Si Si17 1 0.00000000 0.43128971 0.37653270 1.0 Si Si18 1 0.00000000 0.25366589 0.87267778 1.0 Si Si19 1 0.50000000 0.74685504 0.62564726 1.0 Si Si20 1 0.00000000 0.25335965 0.12555022 1.0 Si Si21 1 0.50000000 0.74546449 0.37458862 1.0 Si Si22 1 0.00000000 0.46176393 0.87821148 1.0 Si Si23 1 0.50000000 0.53881508 0.62274700 1.0 Si Si24 1 0.50000000 0.53932786 0.37623845 1.0 Si Si25 1 0.00000000 0.45955900 0.12457159 1.0 Br Br26 1 0.50000000 0.11134512 0.69243495 1.0 Br Br27 1 0.00000000 0.89189690 0.80614739 1.0 Br Br28 1 0.00000000 0.13885279 0.49951305 1.0 Br Br29 1 0.50000000 0.86090813 0.99970987 1.0 Br Br30 1 0.50000000 0.10775627 0.30639520 1.0 Br Br31 1 0.00000000 0.89063086 0.19244766 1.0