# generated using pymatgen data_Nd18Mn49Ni20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79716220 _cell_length_b 8.79716220 _cell_length_c 21.53326200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000148 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd18Mn49Ni20 _chemical_formula_sum 'Nd18 Mn49 Ni20' _cell_volume 1443.19710292 _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 0.46983400 0.53016600 0.23487200 1.0 Nd Nd1 1 0.80358500 0.19641500 0.90188700 1.0 Nd Nd2 1 0.13650900 0.86349100 0.56826100 1.0 Nd Nd3 1 0.19641500 0.39282900 0.09811300 1.0 Nd Nd4 1 0.53016600 0.06033200 0.76512800 1.0 Nd Nd5 1 0.86349100 0.72698200 0.43173900 1.0 Nd Nd6 1 0.06033200 0.53016600 0.23487200 1.0 Nd Nd7 1 0.39282900 0.19641500 0.90188700 1.0 Nd Nd8 1 0.72698200 0.86349100 0.56826100 1.0 Nd Nd9 1 0.19641500 0.80358500 0.09811300 1.0 Nd Nd10 1 0.53016600 0.46983400 0.76512800 1.0 Nd Nd11 1 0.86349100 0.13650900 0.43173900 1.0 Nd Nd12 1 0.46983400 0.93966800 0.23487200 1.0 Nd Nd13 1 0.80358500 0.60717100 0.90188700 1.0 Nd Nd14 1 0.13650900 0.27301800 0.56826100 1.0 Nd Nd15 1 0.60717100 0.80358500 0.09811300 1.0 Nd Nd16 1 0.93966800 0.46983400 0.76512800 1.0 Nd Nd17 1 0.27301800 0.13650900 0.43173900 1.0 Mn Mn18 1 0.82714100 0.65428200 0.29308400 1.0 Mn Mn19 1 0.16135100 0.32270300 0.95982900 1.0 Mn Mn20 1 0.49381200 0.98762500 0.62660700 1.0 Mn Mn21 1 0.82714100 0.17285900 0.29308400 1.0 Mn Mn22 1 0.16135100 0.83864900 0.95982900 1.0 Mn Mn23 1 0.49381200 0.50618800 0.62660700 1.0 Mn Mn24 1 0.00000000 0.00000000 0.12086600 1.0 Mn Mn25 1 0.33333300 0.66666700 0.78700200 1.0 Mn Mn26 1 0.66666700 0.33333300 0.45355700 1.0 Mn Mn27 1 0.34571800 0.17285900 0.29308400 1.0 Mn Mn28 1 0.67729700 0.83864900 0.95982900 1.0 Mn Mn29 1 0.01237500 0.50618800 0.62660700 1.0 Mn Mn30 1 0.83864900 0.67729700 0.04017100 1.0 Mn Mn31 1 0.17285900 0.34571800 0.70691600 1.0 Mn Mn32 1 0.50618800 0.01237500 0.37339300 1.0 Mn Mn33 1 0.83864900 0.16135100 0.04017100 1.0 Mn Mn34 1 0.17285900 0.82714100 0.70691600 1.0 Mn Mn35 1 0.50618800 0.49381200 0.37339300 1.0 Mn Mn36 1 0.66666700 0.33333300 0.21299800 1.0 Mn Mn37 1 0.00000000 0.00000000 0.87913400 1.0 Mn Mn38 1 0.33333300 0.66666700 0.54644300 1.0 Mn Mn39 1 0.32270300 0.16135100 0.04017100 1.0 Mn Mn40 1 0.65428200 0.82714100 0.70691600 1.0 Mn Mn41 1 0.98762500 0.49381200 0.37339300 1.0 Mn Mn42 1 0.09680700 0.19361400 0.22560800 1.0 Mn Mn43 1 0.43046800 0.86093600 0.89254300 1.0 Mn Mn44 1 0.76345600 0.52691300 0.55915600 1.0 Mn Mn45 1 0.09680700 0.90319300 0.22560800 1.0 Mn Mn46 1 0.43046800 0.56953200 0.89254300 1.0 Mn Mn47 1 0.76345600 0.23654400 0.55915600 1.0 Mn Mn48 1 0.00000000 0.00000000 0.32267100 1.0 Mn Mn49 1 0.33333300 0.66666700 0.98949700 1.0 Mn Mn50 1 0.66666700 0.33333300 0.65599900 1.0 Mn Mn51 1 0.80638600 0.90319300 0.22560800 1.0 Mn Mn52 1 0.13906400 0.56953200 0.89254300 1.0 Mn Mn53 1 0.47308700 0.23654400 0.55915600 1.0 Mn Mn54 1 0.56953200 0.13906400 0.10745700 1.0 Mn Mn55 1 0.90319300 0.80638600 0.77439200 1.0 Mn Mn56 1 0.23654400 0.47308700 0.44084400 1.0 Mn Mn57 1 0.56953200 0.43046800 0.10745700 1.0 Mn Mn58 1 0.90319300 0.09680700 0.77439200 1.0 Mn Mn59 1 0.23654400 0.76345600 0.44084400 1.0 Mn Mn60 1 0.66666700 0.33333300 0.01050300 1.0 Mn Mn61 1 0.00000000 0.00000000 0.67732900 1.0 Mn Mn62 1 0.33333300 0.66666700 0.34400100 1.0 Mn Mn63 1 0.86093600 0.43046800 0.10745700 1.0 Mn Mn64 1 0.19361400 0.09680700 0.77439200 1.0 Mn Mn65 1 0.52691300 0.76345600 0.44084400 1.0 Mn Mn66 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni67 1 0.16659400 0.83340600 0.33323800 1.0 Ni Ni68 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni69 1 0.83340600 0.16659400 0.66676200 1.0 Ni Ni70 1 0.83327100 0.66654100 0.16653300 1.0 Ni Ni71 1 0.16672900 0.33345900 0.83346700 1.0 Ni Ni72 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni73 1 0.66681200 0.83340600 0.33323800 1.0 Ni Ni74 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni75 1 0.33318800 0.16659400 0.66676200 1.0 Ni Ni76 1 0.83327100 0.16672900 0.16653300 1.0 Ni Ni77 1 0.16672900 0.83327100 0.83346700 1.0 Ni Ni78 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni79 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni80 1 0.83340600 0.66681200 0.66676200 1.0 Ni Ni81 1 0.16659400 0.33318800 0.33323800 1.0 Ni Ni82 1 0.33345900 0.16672900 0.16653300 1.0 Ni Ni83 1 0.66654100 0.83327100 0.83346700 1.0 Ni Ni84 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni85 1 0.33333300 0.66666700 0.66680300 1.0 Ni Ni86 1 0.66666700 0.33333300 0.33319700 1.0