# generated using pymatgen data_ZrTaCo4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.88245824 _cell_length_b 11.88245818 _cell_length_c 3.62323242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.04162154 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaCo4P3 _chemical_formula_sum 'Zr4 Ta4 Co16 P12' _cell_volume 442.85047835 _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 Zr Zr0 1 0.66659155 0.33274746 0.00000000 1.0 Zr Zr1 1 0.33274746 0.66659155 0.00000000 1.0 Zr Zr2 1 0.17762873 0.00002428 0.50000000 1.0 Zr Zr3 1 0.00002428 0.17762873 0.50000000 1.0 Ta Ta4 1 0.44430781 0.44430781 0.00000000 1.0 Ta Ta5 1 0.55680012 0.99930522 0.00000000 1.0 Ta Ta6 1 0.99930522 0.55680012 0.00000000 1.0 Ta Ta7 1 0.82259333 0.82259333 0.50000000 1.0 Co Co8 1 0.19392151 0.37459629 0.00000000 1.0 Co Co9 1 0.17949800 0.80612466 0.00000000 1.0 Co Co10 1 0.81973798 0.62918186 0.00000000 1.0 Co Co11 1 0.80612466 0.17949800 0.00000000 1.0 Co Co12 1 0.37459629 0.19392151 0.00000000 1.0 Co Co13 1 0.12674487 0.48612416 0.50000000 1.0 Co Co14 1 0.35847941 0.87309422 0.50000000 1.0 Co Co15 1 0.51603503 0.64237942 0.50000000 1.0 Co Co16 1 0.64237942 0.51603503 0.50000000 1.0 Co Co17 1 0.87309422 0.35847941 0.50000000 1.0 Co Co18 1 0.48612416 0.12674487 0.50000000 1.0 Co Co19 1 0.99728384 0.99728384 0.00000000 1.0 Co Co20 1 0.72273487 0.99740215 0.50000000 1.0 Co Co21 1 0.99740215 0.72273487 0.50000000 1.0 Co Co22 1 0.62918186 0.81973798 0.00000000 1.0 Co Co23 1 0.27820648 0.27820648 0.50000000 1.0 P P24 1 0.65068520 0.65068520 0.00000000 1.0 P P25 1 0.35181205 0.99994216 0.00000000 1.0 P P26 1 0.99994216 0.35181205 0.00000000 1.0 P P27 1 0.47989350 0.30874428 0.50000000 1.0 P P28 1 0.69191741 0.17024873 0.50000000 1.0 P P29 1 0.82834292 0.51975927 0.50000000 1.0 P P30 1 0.51975927 0.82834292 0.50000000 1.0 P P31 1 0.17024873 0.69191741 0.50000000 1.0 P P32 1 0.82343637 0.99837296 0.00000000 1.0 P P33 1 0.99837296 0.82343637 0.00000000 1.0 P P34 1 0.30874428 0.47989350 0.50000000 1.0 P P35 1 0.17530289 0.17530289 0.00000000 1.0