# generated using pymatgen data_NaNi5As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35493203 _cell_length_b 6.35493217 _cell_length_c 11.68994273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.69820596 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi5As3 _chemical_formula_sum 'Na2 Ni10 As6' _cell_volume 259.20615414 _cell_formula_units_Z 2 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 Na Na0 1 0.16261528 0.83738472 0.25000000 1.0 Na Na1 1 0.83738472 0.16261528 0.75000000 1.0 Ni Ni2 1 0.19416431 0.80583569 0.93505016 1.0 Ni Ni3 1 0.80583569 0.19416431 0.43505016 1.0 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni6 1 0.55148948 0.44851052 0.64263590 1.0 Ni Ni7 1 0.44851052 0.55148948 0.35736410 1.0 Ni Ni8 1 0.44851052 0.55148948 0.14263590 1.0 Ni Ni9 1 0.19416431 0.80583569 0.56494984 1.0 Ni Ni10 1 0.80583569 0.19416431 0.06494984 1.0 Ni Ni11 1 0.55148948 0.44851052 0.85736410 1.0 As As12 1 0.62084463 0.37915537 0.45202369 1.0 As As13 1 0.11547368 0.88452632 0.75000000 1.0 As As14 1 0.62084463 0.37915537 0.04797631 1.0 As As15 1 0.37915537 0.62084463 0.95202369 1.0 As As16 1 0.88452632 0.11547368 0.25000000 1.0 As As17 1 0.37915537 0.62084463 0.54797631 1.0