# generated using pymatgen data_Ta3Mn2SiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95712993 _cell_length_b 7.95711848 _cell_length_c 7.95704400 _cell_angle_alpha 60.00020628 _cell_angle_beta 60.00012180 _cell_angle_gamma 60.00042646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Mn2SiN _chemical_formula_sum 'Ta12 Mn8 Si4 N4' _cell_volume 356.24724394 _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 Ta Ta0 1 0.80009584 0.80007898 0.19989968 1.0 Ta Ta1 1 0.19986822 0.19992281 0.80009414 1.0 Ta Ta2 1 0.80009961 0.19990816 0.80007571 1.0 Ta Ta3 1 0.19987511 0.80009902 0.19991980 1.0 Ta Ta4 1 0.19986707 0.80010265 0.80009770 1.0 Ta Ta5 1 0.80009569 0.19991489 0.19990313 1.0 Ta Ta6 1 0.44983750 0.44982755 0.05016657 1.0 Ta Ta7 1 0.05012548 0.05018763 0.44985635 1.0 Ta Ta8 1 0.44982432 0.05017162 0.44983487 1.0 Ta Ta9 1 0.05012532 0.44985779 0.05017669 1.0 Ta Ta10 1 0.05012838 0.44983119 0.44985667 1.0 Ta Ta11 1 0.44984039 0.05017304 0.05016282 1.0 Mn Mn12 1 0.73951882 0.42016002 0.42016719 1.0 Mn Mn13 1 0.42019661 0.73947746 0.42016982 1.0 Mn Mn14 1 0.42019461 0.42015913 0.73949131 1.0 Mn Mn15 1 0.42019491 0.42016069 0.42016850 1.0 Mn Mn16 1 0.51065205 0.82978155 0.82978543 1.0 Mn Mn17 1 0.82983766 0.51056793 0.82979928 1.0 Mn Mn18 1 0.82983902 0.82979780 0.51056696 1.0 Mn Mn19 1 0.82983947 0.82979565 0.82979265 1.0 Si Si20 1 0.12499323 0.62500262 0.62500135 1.0 Si Si21 1 0.62499576 0.12501335 0.62499522 1.0 Si Si22 1 0.62499158 0.62499657 0.12501630 1.0 Si Si23 1 0.62499780 0.62499980 0.62499917 1.0 N N24 1 0.62502084 0.12499313 0.12498953 1.0 N N25 1 0.12498145 0.62502276 0.12499347 1.0 N N26 1 0.12498205 0.12500005 0.62502058 1.0 N N27 1 0.12498121 0.12499619 0.12499810 1.0