# generated using pymatgen data_Zr7Co16MoAs12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.37045533 _cell_length_b 12.37045500 _cell_length_c 3.77466815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.79355202 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Co16MoAs12 _chemical_formula_sum 'Zr7 Co16 Mo1 As12' _cell_volume 501.28011737 _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 Zr Zr0 1 0.81766968 0.81766968 0.50000000 1.0 Zr Zr1 1 0.99681272 0.17215625 0.50000000 1.0 Zr Zr2 1 0.56068865 0.00105991 0.00000000 1.0 Zr Zr3 1 0.33660976 0.66733621 0.00000000 1.0 Zr Zr4 1 0.66733621 0.33660976 0.00000000 1.0 Zr Zr5 1 0.00105991 0.56068865 0.00000000 1.0 Zr Zr6 1 0.17215625 0.99681272 0.50000000 1.0 Co Co7 1 0.62315181 0.81599850 0.00000000 1.0 Co Co8 1 0.37541896 0.19944458 0.00000000 1.0 Co Co9 1 0.00259295 0.72178131 0.50000000 1.0 Co Co10 1 0.27976596 0.27976596 0.50000000 1.0 Co Co11 1 0.88085122 0.35851282 0.50000000 1.0 Co Co12 1 0.72178131 0.00259295 0.50000000 1.0 Co Co13 1 0.81599850 0.62315181 0.00000000 1.0 Co Co14 1 0.18204104 0.80724264 0.00000000 1.0 Co Co15 1 0.35851282 0.88085122 0.50000000 1.0 Co Co16 1 0.12851802 0.48244612 0.50000000 1.0 Co Co17 1 0.63777484 0.51563439 0.50000000 1.0 Co Co18 1 0.99974806 0.99974806 0.00000000 1.0 Co Co19 1 0.51563439 0.63777484 0.50000000 1.0 Co Co20 1 0.48244612 0.12851802 0.50000000 1.0 Co Co21 1 0.19944458 0.37541896 0.00000000 1.0 Co Co22 1 0.80724264 0.18204104 0.00000000 1.0 Mo Mo23 1 0.44087538 0.44087538 0.00000000 1.0 As As24 1 0.00365060 0.34826708 0.00000000 1.0 As As25 1 0.82494474 0.51691885 0.50000000 1.0 As As26 1 0.69326106 0.17814779 0.50000000 1.0 As As27 1 0.17629318 0.17629318 0.00000000 1.0 As As28 1 0.64139579 0.64139579 0.00000000 1.0 As As29 1 0.82090645 0.99638074 0.00000000 1.0 As As30 1 0.51691885 0.82494474 0.50000000 1.0 As As31 1 0.17814779 0.69326106 0.50000000 1.0 As As32 1 0.34826708 0.00365060 0.00000000 1.0 As As33 1 0.48171393 0.31398903 0.50000000 1.0 As As34 1 0.99638074 0.82090645 0.00000000 1.0 As As35 1 0.31398903 0.48171393 0.50000000 1.0