# generated using pymatgen data_Ac2SiN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34208995 _cell_length_b 6.34209024 _cell_length_c 12.36611708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 127.88221426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2SiN3 _chemical_formula_sum 'Ac8 Si4 N12' _cell_volume 392.57837110 _cell_formula_units_Z 4 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 Ac Ac0 1 0.06071929 0.93928071 0.85893275 1.0 Ac Ac1 1 0.93928071 0.06071929 0.14106725 1.0 Ac Ac2 1 0.43928071 0.56071929 0.35893275 1.0 Ac Ac3 1 0.56071929 0.43928071 0.64106725 1.0 Ac Ac4 1 0.63929855 0.36070145 0.07251162 1.0 Ac Ac5 1 0.36070145 0.63929855 0.92748838 1.0 Ac Ac6 1 0.86070145 0.13929855 0.57251162 1.0 Ac Ac7 1 0.13929855 0.86070145 0.42748838 1.0 Si Si8 1 0.74150997 0.25849003 0.83078494 1.0 Si Si9 1 0.25849003 0.74150997 0.16921506 1.0 Si Si10 1 0.75849003 0.24150997 0.33078494 1.0 Si Si11 1 0.24150997 0.75849003 0.66921506 1.0 N N12 1 0.58819892 0.41180108 0.86017533 1.0 N N13 1 0.41180108 0.58819892 0.13982467 1.0 N N14 1 0.91180108 0.08819892 0.36017533 1.0 N N15 1 0.08819892 0.91180108 0.63982467 1.0 N N16 1 0.51974641 0.98025359 0.75000000 1.0 N N17 1 0.98025359 0.51974641 0.25000000 1.0 N N18 1 0.48025359 0.01974641 0.25000000 1.0 N N19 1 0.01974641 0.48025359 0.75000000 1.0 N N20 1 0.83652426 0.16347574 0.94278556 1.0 N N21 1 0.16347574 0.83652426 0.05721444 1.0 N N22 1 0.66347574 0.33652426 0.44278556 1.0 N N23 1 0.33652426 0.66347574 0.55721444 1.0