# generated using pymatgen data_ZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79273916 _cell_length_b 5.31712717 _cell_length_c 7.00730357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi _chemical_formula_sum 'Zr4 Si4' _cell_volume 141.31262233 _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 Zr Zr0 1 0.25000000 0.12455523 0.17523432 1.0 Zr Zr1 1 0.75000000 0.87544477 0.82476568 1.0 Zr Zr2 1 0.75000000 0.62455523 0.32476568 1.0 Zr Zr3 1 0.25000000 0.37544477 0.67523432 1.0 Si Si4 1 0.25000000 0.63694113 0.04269496 1.0 Si Si5 1 0.75000000 0.36305887 0.95730504 1.0 Si Si6 1 0.75000000 0.13694113 0.45730504 1.0 Si Si7 1 0.25000000 0.86305887 0.54269496 1.0