# generated using pymatgen data_TmNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93839642 _cell_length_b 9.93839756 _cell_length_c 9.93839684 _cell_angle_alpha 60.00155357 _cell_angle_beta 60.00155465 _cell_angle_gamma 60.00155075 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmNi2 _chemical_formula_sum 'Tm16 Ni32' _cell_volume 694.14357610 _cell_formula_units_Z 16 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 Tm Tm0 1 0.00000299 0.00000299 0.00000399 1.0 Tm Tm1 1 0.49999526 0.49999626 0.49999526 1.0 Tm Tm2 1 0.62502111 0.62502111 0.62502111 1.0 Tm Tm3 1 0.62501289 0.62501389 0.12494367 1.0 Tm Tm4 1 0.12494267 0.62501389 0.62501189 1.0 Tm Tm5 1 0.62501389 0.12494367 0.62501289 1.0 Tm Tm6 1 0.12499407 0.12499307 0.12499507 1.0 Tm Tm7 1 0.12500007 0.12500007 0.62501282 1.0 Tm Tm8 1 0.62501382 0.12500007 0.12500007 1.0 Tm Tm9 1 0.12500007 0.62501282 0.12500007 1.0 Tm Tm10 1 0.50002500 0.99996909 0.99997009 1.0 Tm Tm11 1 0.99997009 0.99997009 0.50002400 1.0 Tm Tm12 1 0.50003165 0.50003165 0.99997639 1.0 Tm Tm13 1 0.99997639 0.50003265 0.50003165 1.0 Tm Tm14 1 0.99996909 0.50002500 0.99997009 1.0 Tm Tm15 1 0.50003265 0.99997639 0.50003165 1.0 Ni Ni16 1 0.31254389 0.31254389 0.31254389 1.0 Ni Ni17 1 0.31251843 0.31251743 0.06243369 1.0 Ni Ni18 1 0.06243169 0.31251743 0.31251743 1.0 Ni Ni19 1 0.31251843 0.06243369 0.31251743 1.0 Ni Ni20 1 0.81247360 0.81247460 0.81247460 1.0 Ni Ni21 1 0.81249127 0.81249127 0.56251350 1.0 Ni Ni22 1 0.56251450 0.81249127 0.81249127 1.0 Ni Ni23 1 0.81249027 0.56251450 0.81249027 1.0 Ni Ni24 1 0.81254145 0.81254145 0.31254976 1.0 Ni Ni25 1 0.81251511 0.31253072 0.06243278 1.0 Ni Ni26 1 0.06243309 0.81252225 0.81252225 1.0 Ni Ni27 1 0.81252025 0.06243409 0.81252225 1.0 Ni Ni28 1 0.31252972 0.81251311 0.06243378 1.0 Ni Ni29 1 0.31253072 0.06243278 0.81251411 1.0 Ni Ni30 1 0.06243278 0.31253172 0.81251511 1.0 Ni Ni31 1 0.31254876 0.81254045 0.81254145 1.0 Ni Ni32 1 0.81254145 0.31254976 0.81254145 1.0 Ni Ni33 1 0.06243278 0.81251511 0.31253072 1.0 Ni Ni34 1 0.81251611 0.06243178 0.31253072 1.0 Ni Ni35 1 0.81252125 0.81252225 0.06243409 1.0 Ni Ni36 1 0.31247739 0.31247639 0.81247543 1.0 Ni Ni37 1 0.31249281 0.81249926 0.56251279 1.0 Ni Ni38 1 0.56251298 0.31249940 0.31249940 1.0 Ni Ni39 1 0.31249940 0.56251398 0.31249940 1.0 Ni Ni40 1 0.81249826 0.31249281 0.56251379 1.0 Ni Ni41 1 0.81249826 0.56251279 0.31249281 1.0 Ni Ni42 1 0.56251279 0.81249926 0.31249281 1.0 Ni Ni43 1 0.81247543 0.31247539 0.31247639 1.0 Ni Ni44 1 0.31247639 0.81247543 0.31247639 1.0 Ni Ni45 1 0.56251379 0.31249281 0.81249926 1.0 Ni Ni46 1 0.31249381 0.56251279 0.81249926 1.0 Ni Ni47 1 0.31249940 0.31249940 0.56251298 1.0