# generated using pymatgen data_Nd3Co29(Si2B5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.16817895 _cell_length_b 11.16817895 _cell_length_c 7.79710217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Co29(Si2B5)2 _chemical_formula_sum 'Nd6 Co58 Si8 B20' _cell_volume 972.51868308 _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 Nd Nd0 1 0.25000000 0.75000000 0.00000000 1.0 Nd Nd1 1 0.25000000 0.25000000 0.00000000 1.0 Nd Nd2 1 0.75000000 0.75000000 0.00000000 1.0 Nd Nd3 1 0.75000000 0.25000000 0.00000000 1.0 Nd Nd4 1 -0.00000000 -0.00000000 0.50000000 1.0 Nd Nd5 1 0.50000000 0.50000000 0.50000000 1.0 Co Co6 1 0.33926214 0.67620813 0.33577962 1.0 Co Co7 1 0.27283717 -0.00000000 0.53093324 1.0 Co Co8 1 0.50000000 0.77283717 0.53093324 1.0 Co Co9 1 0.50000000 0.22716283 0.53093324 1.0 Co Co10 1 0.83553131 0.50000000 0.96949775 1.0 Co Co11 1 -0.00000000 0.66446869 0.96949775 1.0 Co Co12 1 -0.00000000 0.33553131 0.96949775 1.0 Co Co13 1 0.16446869 0.50000000 0.96949775 1.0 Co Co14 1 0.66446869 -0.00000000 0.03050225 1.0 Co Co15 1 0.33553131 -0.00000000 0.03050225 1.0 Co Co16 1 0.50000000 0.83553131 0.03050225 1.0 Co Co17 1 0.50000000 0.16446869 0.03050225 1.0 Co Co18 1 0.88518887 0.38518887 0.25104358 1.0 Co Co19 1 0.88518887 0.61481113 0.25104358 1.0 Co Co20 1 0.11481113 0.38518887 0.25104358 1.0 Co Co21 1 0.11481113 0.61481113 0.25104358 1.0 Co Co22 1 0.61481113 0.88518887 0.74895642 1.0 Co Co23 1 0.38518887 0.11481113 0.74895642 1.0 Co Co24 1 0.38518887 0.88518887 0.74895642 1.0 Co Co25 1 0.61481113 0.11481113 0.74895642 1.0 Co Co26 1 0.89097950 0.39097950 0.69502138 1.0 Co Co27 1 0.89097950 0.60902050 0.69502138 1.0 Co Co28 1 0.10902050 0.39097950 0.69502138 1.0 Co Co29 1 0.10902050 0.60902050 0.69502138 1.0 Co Co30 1 0.60902050 0.89097950 0.30497862 1.0 Co Co31 1 0.39097950 0.10902050 0.30497862 1.0 Co Co32 1 0.39097950 0.89097950 0.30497862 1.0 Co Co33 1 0.60902050 0.10902050 0.30497862 1.0 Co Co34 1 0.33926214 0.32379187 0.33577962 1.0 Co Co35 1 0.82379187 0.16073786 0.33577962 1.0 Co Co36 1 0.17620813 0.83926214 0.33577962 1.0 Co Co37 1 0.66073786 0.67620813 0.33577962 1.0 Co Co38 1 0.16073786 0.82379187 0.66422038 1.0 Co Co39 1 0.83926214 0.17620813 0.66422038 1.0 Co Co40 1 0.32379187 0.33926214 0.66422038 1.0 Co Co41 1 0.61050121 0.50000000 0.88756398 1.0 Co Co42 1 0.16073786 0.17620813 0.66422038 1.0 Co Co43 1 0.67620813 0.33926214 0.66422038 1.0 Co Co44 1 0.32379187 0.66073786 0.66422038 1.0 Co Co45 1 0.83926214 0.82379187 0.66422038 1.0 Co Co46 1 0.72716283 -0.00000000 0.53093324 1.0 Co Co47 1 -0.00000000 0.88949879 0.88756398 1.0 Co Co48 1 0.17620813 0.16073786 0.33577962 1.0 Co Co49 1 0.82379187 0.83926214 0.33577962 1.0 Co Co50 1 -0.00000000 0.11050121 0.88756398 1.0 Co Co51 1 0.38949879 0.50000000 0.88756398 1.0 Co Co52 1 0.50000000 -0.00000000 0.53774025 1.0 Co Co53 1 -0.00000000 0.50000000 0.46225975 1.0 Co Co54 1 0.11050121 -0.00000000 0.11243602 1.0 Co Co55 1 0.22716283 0.50000000 0.46906676 1.0 Co Co56 1 -0.00000000 0.27283717 0.46906676 1.0 Co Co57 1 -0.00000000 0.72716283 0.46906676 1.0 Co Co58 1 0.77283717 0.50000000 0.46906676 1.0 Co Co59 1 0.50000000 0.61050121 0.11243602 1.0 Co Co60 1 0.50000000 0.38949879 0.11243602 1.0 Co Co61 1 0.88949879 -0.00000000 0.11243602 1.0 Co Co62 1 0.67620813 0.66073786 0.66422038 1.0 Co Co63 1 0.66073786 0.32379187 0.33577962 1.0 Si Si64 1 0.50000000 0.67894124 0.82654231 1.0 Si Si65 1 0.32105876 0.50000000 0.17345769 1.0 Si Si66 1 -0.00000000 0.17894124 0.17345769 1.0 Si Si67 1 -0.00000000 0.82105876 0.17345769 1.0 Si Si68 1 0.67894124 0.50000000 0.17345769 1.0 Si Si69 1 0.17894124 -0.00000000 0.82654231 1.0 Si Si70 1 0.82105876 -0.00000000 0.82654231 1.0 Si Si71 1 0.50000000 0.32105876 0.82654231 1.0 B B72 1 0.68745628 0.18745628 0.51833237 1.0 B B73 1 0.31254372 0.81254372 0.51833237 1.0 B B74 1 0.31254372 0.18745628 0.51833237 1.0 B B75 1 0.68745628 0.81254372 0.51833237 1.0 B B76 1 0.18745628 0.68745628 0.48166763 1.0 B B77 1 0.18745628 0.31254372 0.48166763 1.0 B B78 1 0.50000000 0.25519499 0.26282041 1.0 B B79 1 0.50000000 0.74480501 0.26282041 1.0 B B80 1 0.24480501 -0.00000000 0.26282041 1.0 B B81 1 0.75519499 -0.00000000 0.26282041 1.0 B B82 1 0.25519499 0.50000000 0.73717959 1.0 B B83 1 -0.00000000 0.24480501 0.73717959 1.0 B B84 1 -0.00000000 0.75519499 0.73717959 1.0 B B85 1 0.74480501 0.50000000 0.73717959 1.0 B B86 1 0.50000000 -0.00000000 0.14734041 1.0 B B87 1 -0.00000000 0.50000000 0.85265959 1.0 B B88 1 0.50000000 -0.00000000 0.89579758 1.0 B B89 1 -0.00000000 0.50000000 0.10420242 1.0 B B90 1 0.81254372 0.68745628 0.48166763 1.0 B B91 1 0.81254372 0.31254372 0.48166763 1.0