# generated using pymatgen data_TmCo4MoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66046594 _cell_length_b 10.28800031 _cell_length_c 11.73426646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCo4MoP3 _chemical_formula_sum 'Tm4 Co16 Mo4 P12' _cell_volume 441.89927032 _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 Tm Tm0 1 0.25000000 0.58238683 0.70413175 1.0 Tm Tm1 1 0.25000000 0.91761317 0.20413175 1.0 Tm Tm2 1 0.75000000 0.41761317 0.29586825 1.0 Tm Tm3 1 0.75000000 0.08238683 0.79586825 1.0 Co Co4 1 0.25000000 0.40659955 0.48824311 1.0 Co Co5 1 0.25000000 0.09340045 0.98824311 1.0 Co Co6 1 0.75000000 0.59340045 0.51175689 1.0 Co Co7 1 0.75000000 0.90659955 0.01175689 1.0 Co Co8 1 0.25000000 0.22166759 0.17801671 1.0 Co Co9 1 0.25000000 0.27833241 0.67801671 1.0 Co Co10 1 0.75000000 0.77833241 0.82198329 1.0 Co Co11 1 0.75000000 0.72166759 0.32198329 1.0 Co Co12 1 0.25000000 0.88745727 0.70058473 1.0 Co Co13 1 0.25000000 0.61254273 0.20058473 1.0 Co Co14 1 0.75000000 0.11254273 0.29941527 1.0 Co Co15 1 0.75000000 0.38745727 0.79941527 1.0 Co Co16 1 0.25000000 0.46580820 0.93275368 1.0 Co Co17 1 0.25000000 0.03419180 0.43275368 1.0 Co Co18 1 0.75000000 0.53419180 0.06724632 1.0 Co Co19 1 0.75000000 0.96580820 0.56724632 1.0 Mo Mo20 1 0.25000000 0.70902533 0.98762452 1.0 Mo Mo21 1 0.25000000 0.79097467 0.48762452 1.0 Mo Mo22 1 0.75000000 0.29097467 0.01237548 1.0 Mo Mo23 1 0.75000000 0.20902533 0.51237548 1.0 P P24 1 0.25000000 0.42036439 0.11612002 1.0 P P25 1 0.25000000 0.07963561 0.61612002 1.0 P P26 1 0.75000000 0.57963561 0.88387998 1.0 P P27 1 0.75000000 0.92036439 0.38387998 1.0 P P28 1 0.25000000 0.26817615 0.86414560 1.0 P P29 1 0.25000000 0.23182385 0.36414560 1.0 P P30 1 0.75000000 0.73182385 0.13585440 1.0 P P31 1 0.75000000 0.76817615 0.63585440 1.0 P P32 1 0.25000000 0.59510714 0.39065126 1.0 P P33 1 0.25000000 0.90489286 0.89065126 1.0 P P34 1 0.75000000 0.40489286 0.60934874 1.0 P P35 1 0.75000000 0.09510714 0.10934874 1.0