# generated using pymatgen data_Nb12ReSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29139816 _cell_length_b 5.29270636 _cell_length_c 10.57080745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12ReSn3 _chemical_formula_sum 'Nb12 Re1 Sn3' _cell_volume 296.04409625 _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 Nb Nb0 1 0.00000000 0.50000000 0.38254721 1.0 Nb Nb1 1 0.00000000 0.50000000 0.87121466 1.0 Nb Nb2 1 0.50000000 0.25310053 0.00000000 1.0 Nb Nb3 1 0.50000000 0.24248445 0.50000000 1.0 Nb Nb4 1 0.75615601 0.00000000 0.25897286 1.0 Nb Nb5 1 0.75615601 0.00000000 0.74102714 1.0 Nb Nb6 1 0.00000000 0.50000000 0.12878534 1.0 Nb Nb7 1 0.00000000 0.50000000 0.61745279 1.0 Nb Nb8 1 0.50000000 0.74689947 0.00000000 1.0 Nb Nb9 1 0.50000000 0.75751555 0.50000000 1.0 Nb Nb10 1 0.24384399 0.00000000 0.25897286 1.0 Nb Nb11 1 0.24384399 0.00000000 0.74102714 1.0 Re Re12 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn13 1 0.50000000 0.50000000 0.24964801 1.0 Sn Sn14 1 0.50000000 0.50000000 0.75035199 1.0 Sn Sn15 1 0.00000000 0.00000000 0.00000000 1.0