# generated using pymatgen data_BaNi9Ge2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69929080 _cell_length_b 6.69929132 _cell_length_c 10.62466125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000238 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNi9Ge2P3 _chemical_formula_sum 'Ba2 Ni18 Ge4 P6' _cell_volume 412.95564425 _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 Ba Ba0 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.46098206 0.92196312 0.88265832 1.0 Ni Ni3 1 0.92196312 0.46098206 0.11734168 1.0 Ni Ni4 1 0.53901794 0.07803688 0.11734168 1.0 Ni Ni5 1 0.07803688 0.53901794 0.61734168 1.0 Ni Ni6 1 0.19970478 0.39940857 0.25000000 1.0 Ni Ni7 1 0.80029522 0.19970478 0.75000000 1.0 Ni Ni8 1 0.39940857 0.19970478 0.75000000 1.0 Ni Ni9 1 0.60059143 0.80029522 0.25000000 1.0 Ni Ni10 1 0.19970478 0.80029522 0.25000000 1.0 Ni Ni11 1 0.80029522 0.60059143 0.75000000 1.0 Ni Ni12 1 0.46098206 0.92196312 0.61734168 1.0 Ni Ni13 1 0.53901794 0.46098206 0.38265832 1.0 Ni Ni14 1 0.92196312 0.46098206 0.38265832 1.0 Ni Ni15 1 0.07803688 0.53901794 0.88265832 1.0 Ni Ni16 1 0.46098206 0.53901794 0.88265832 1.0 Ni Ni17 1 0.53901794 0.07803688 0.38265832 1.0 Ni Ni18 1 0.53901794 0.46098206 0.11734168 1.0 Ni Ni19 1 0.46098206 0.53901794 0.61734168 1.0 Ge Ge20 1 0.33333300 0.66666700 0.43715990 1.0 Ge Ge21 1 0.66666700 0.33333300 0.93715990 1.0 Ge Ge22 1 0.66666700 0.33333300 0.56284010 1.0 Ge Ge23 1 0.33333300 0.66666700 0.06284010 1.0 P P24 1 0.17200873 0.34401746 0.75000000 1.0 P P25 1 0.82799127 0.17200873 0.25000000 1.0 P P26 1 0.17200873 0.82799127 0.75000000 1.0 P P27 1 0.82799127 0.65598254 0.25000000 1.0 P P28 1 0.34401746 0.17200873 0.25000000 1.0 P P29 1 0.65598254 0.82799127 0.75000000 1.0