# generated using pymatgen data_CaYSiNi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89282809 _cell_length_b 4.98270392 _cell_length_c 8.24950853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYSiNi9 _chemical_formula_sum 'Ca1 Y1 Si1 Ni9' _cell_volume 160.01414763 _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 Ca Ca0 1 0.00000000 0.50000000 0.00000000 1.0 Y Y1 1 0.00000000 0.00000000 0.50000000 1.0 Si Si2 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.00000000 0.50000000 0.34064995 1.0 Ni Ni4 1 0.00000000 0.00000000 0.83368436 1.0 Ni Ni5 1 0.00000000 0.00000000 0.16631564 1.0 Ni Ni6 1 0.00000000 0.50000000 0.65935005 1.0 Ni Ni7 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni8 1 0.50000000 0.75770354 0.26090619 1.0 Ni Ni9 1 0.50000000 0.24229646 0.73909381 1.0 Ni Ni10 1 0.50000000 0.24229646 0.26090619 1.0 Ni Ni11 1 0.50000000 0.75770354 0.73909381 1.0