# generated using pymatgen data_ZrCo3P2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61446616 _cell_length_b 10.21609137 _cell_length_c 11.84264596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCo3P2 _chemical_formula_sum 'Zr6 Co18 P12' _cell_volume 437.29818848 _cell_formula_units_Z 6 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 0.00000000 0.50000000 0.52696343 1.0 Zr Zr1 1 0.50000000 0.00000000 0.47303657 1.0 Zr Zr2 1 0.50000000 0.82067409 0.20814321 1.0 Zr Zr3 1 0.50000000 0.17932591 0.20814321 1.0 Zr Zr4 1 0.00000000 0.67932591 0.79185679 1.0 Zr Zr5 1 0.00000000 0.32067409 0.79185679 1.0 Co Co6 1 0.00000000 0.50000000 0.98810312 1.0 Co Co7 1 0.50000000 0.00000000 0.01189688 1.0 Co Co8 1 0.50000000 0.29944286 0.43214307 1.0 Co Co9 1 0.50000000 0.70055714 0.43214307 1.0 Co Co10 1 0.00000000 0.20055714 0.56785693 1.0 Co Co11 1 0.00000000 0.79944286 0.56785693 1.0 Co Co12 1 0.50000000 0.87683257 0.70757896 1.0 Co Co13 1 0.50000000 0.12316743 0.70757896 1.0 Co Co14 1 0.00000000 0.62316743 0.29242104 1.0 Co Co15 1 0.00000000 0.37683257 0.29242104 1.0 Co Co16 1 0.50000000 0.33282287 0.99463051 1.0 Co Co17 1 0.50000000 0.66717713 0.99463051 1.0 Co Co18 1 0.00000000 0.16717713 0.00536949 1.0 Co Co19 1 0.00000000 0.83282287 0.00536949 1.0 Co Co20 1 0.50000000 0.50000000 0.16163660 1.0 Co Co21 1 0.00000000 0.00000000 0.83836340 1.0 Co Co22 1 0.50000000 0.50000000 0.70352868 1.0 Co Co23 1 0.00000000 0.00000000 0.29647132 1.0 P P24 1 0.50000000 0.31623766 0.61652489 1.0 P P25 1 0.50000000 0.68376234 0.61652489 1.0 P P26 1 0.00000000 0.18376234 0.38347511 1.0 P P27 1 0.00000000 0.81623766 0.38347511 1.0 P P28 1 0.50000000 0.50000000 0.87990030 1.0 P P29 1 0.00000000 0.00000000 0.12009970 1.0 P P30 1 0.50000000 0.84397315 0.88966995 1.0 P P31 1 0.50000000 0.15602685 0.88966995 1.0 P P32 1 0.00000000 0.65602685 0.11033005 1.0 P P33 1 0.00000000 0.34397315 0.11033005 1.0 P P34 1 0.50000000 0.50000000 0.35118484 1.0 P P35 1 0.00000000 0.00000000 0.64881516 1.0