# generated using pymatgen data_Nd2Ni7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01688400 _cell_length_b 5.01688401 _cell_length_c 24.49636600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Ni7 _chemical_formula_sum 'Nd8 Ni28' _cell_volume 533.94978201 _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 Nd Nd0 1 0.33333300 0.66666700 0.47013000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.52987000 1.0 Nd Nd2 1 0.66666700 0.33333300 0.97013000 1.0 Nd Nd3 1 0.33333300 0.66666700 0.02987000 1.0 Nd Nd4 1 0.33333300 0.66666700 0.32549800 1.0 Nd Nd5 1 0.66666700 0.33333300 0.67450200 1.0 Nd Nd6 1 0.66666700 0.33333300 0.82549800 1.0 Nd Nd7 1 0.33333300 0.66666700 0.17450200 1.0 Ni Ni8 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni10 1 0.83243600 0.16756400 0.25000000 1.0 Ni Ni11 1 0.83243600 0.66487200 0.25000000 1.0 Ni Ni12 1 0.33512800 0.16756400 0.25000000 1.0 Ni Ni13 1 0.16756400 0.83243600 0.75000000 1.0 Ni Ni14 1 0.16756400 0.33512800 0.75000000 1.0 Ni Ni15 1 0.66487200 0.83243600 0.75000000 1.0 Ni Ni16 1 0.83400900 0.16599100 0.41275300 1.0 Ni Ni17 1 0.83400900 0.66801800 0.41275300 1.0 Ni Ni18 1 0.33198200 0.16599100 0.41275300 1.0 Ni Ni19 1 0.16599100 0.83400900 0.58724700 1.0 Ni Ni20 1 0.16599100 0.33198200 0.58724700 1.0 Ni Ni21 1 0.66801800 0.83400900 0.58724700 1.0 Ni Ni22 1 0.16599100 0.83400900 0.91275300 1.0 Ni Ni23 1 0.16599100 0.33198200 0.91275300 1.0 Ni Ni24 1 0.66801800 0.83400900 0.91275300 1.0 Ni Ni25 1 0.83400900 0.16599100 0.08724700 1.0 Ni Ni26 1 0.83400900 0.66801800 0.08724700 1.0 Ni Ni27 1 0.33198200 0.16599100 0.08724700 1.0 Ni Ni28 1 0.00000000 0.00000000 0.33097600 1.0 Ni Ni29 1 0.00000000 0.00000000 0.66902400 1.0 Ni Ni30 1 0.00000000 0.00000000 0.83097600 1.0 Ni Ni31 1 0.00000000 0.00000000 0.16902400 1.0 Ni Ni32 1 0.33333300 0.66666700 0.66752100 1.0 Ni Ni33 1 0.66666700 0.33333300 0.33247900 1.0 Ni Ni34 1 0.66666700 0.33333300 0.16752100 1.0 Ni Ni35 1 0.33333300 0.66666700 0.83247900 1.0