# generated using pymatgen data_Nd5Co21B4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08689140 _cell_length_b 5.08689140 _cell_length_c 17.61066800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Co21B4 _chemical_formula_sum 'Nd5 Co21 B4' _cell_volume 394.64938196 _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 Nd Nd0 1 0.00000000 0.00000000 0.50000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.10839300 1.0 Nd Nd2 1 0.00000000 0.00000000 0.89160700 1.0 Nd Nd3 1 0.00000000 0.00000000 0.30492200 1.0 Nd Nd4 1 0.00000000 0.00000000 0.69507800 1.0 Co Co5 1 0.66666700 0.33333300 0.50000000 1.0 Co Co6 1 0.33333300 0.66666700 0.50000000 1.0 Co Co7 1 0.66666700 0.33333300 0.11101200 1.0 Co Co8 1 0.33333300 0.66666700 0.11101200 1.0 Co Co9 1 0.33333300 0.66666700 0.88898800 1.0 Co Co10 1 0.66666700 0.33333300 0.88898800 1.0 Co Co11 1 0.50000000 0.00000000 0.22343200 1.0 Co Co12 1 0.50000000 0.50000000 0.22343200 1.0 Co Co13 1 0.00000000 0.50000000 0.22343200 1.0 Co Co14 1 0.50000000 0.00000000 0.77656800 1.0 Co Co15 1 0.50000000 0.50000000 0.77656800 1.0 Co Co16 1 0.00000000 0.50000000 0.77656800 1.0 Co Co17 1 0.50000000 0.00000000 0.38761000 1.0 Co Co18 1 0.50000000 0.50000000 0.38761000 1.0 Co Co19 1 0.00000000 0.50000000 0.38761000 1.0 Co Co20 1 0.50000000 0.00000000 0.61239000 1.0 Co Co21 1 0.50000000 0.50000000 0.61239000 1.0 Co Co22 1 0.00000000 0.50000000 0.61239000 1.0 Co Co23 1 0.50000000 0.00000000 0.00000000 1.0 Co Co24 1 0.50000000 0.50000000 0.00000000 1.0 Co Co25 1 0.00000000 0.50000000 0.00000000 1.0 B B26 1 0.66666700 0.33333300 0.30546200 1.0 B B27 1 0.33333300 0.66666700 0.30546200 1.0 B B28 1 0.33333300 0.66666700 0.69453800 1.0 B B29 1 0.66666700 0.33333300 0.69453800 1.0