# generated using pymatgen data_YTiMn4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63043578 _cell_length_b 10.92867919 _cell_length_c 12.39455076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiMn4P3 _chemical_formula_sum 'Y4 Ti4 Mn16 P12' _cell_volume 491.76456012 _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 Y Y0 1 0.25000000 0.59033816 0.70839580 1.0 Y Y1 1 0.25000000 0.90966184 0.20839580 1.0 Y Y2 1 0.75000000 0.40966184 0.29160420 1.0 Y Y3 1 0.75000000 0.09033816 0.79160420 1.0 Ti Ti4 1 0.25000000 0.71286229 0.98098140 1.0 Ti Ti5 1 0.25000000 0.78713771 0.48098140 1.0 Ti Ti6 1 0.75000000 0.28713771 0.01901860 1.0 Ti Ti7 1 0.75000000 0.21286229 0.51901860 1.0 Mn Mn8 1 0.25000000 0.40989767 0.49550691 1.0 Mn Mn9 1 0.25000000 0.09010233 0.99550691 1.0 Mn Mn10 1 0.75000000 0.59010233 0.50449309 1.0 Mn Mn11 1 0.75000000 0.90989767 0.00449309 1.0 Mn Mn12 1 0.25000000 0.20815847 0.18221385 1.0 Mn Mn13 1 0.25000000 0.29184253 0.68221385 1.0 Mn Mn14 1 0.75000000 0.79184253 0.81778615 1.0 Mn Mn15 1 0.75000000 0.70815747 0.31778615 1.0 Mn Mn16 1 0.25000000 0.88641100 0.69165195 1.0 Mn Mn17 1 0.25000000 0.61358900 0.19165195 1.0 Mn Mn18 1 0.75000000 0.11358900 0.30834805 1.0 Mn Mn19 1 0.75000000 0.38641100 0.80834805 1.0 Mn Mn20 1 0.25000000 0.46525664 0.93536851 1.0 Mn Mn21 1 0.25000000 0.03474336 0.43536851 1.0 Mn Mn22 1 0.75000000 0.53474336 0.06463149 1.0 Mn Mn23 1 0.75000000 0.96525664 0.56463149 1.0 P P24 1 0.25000000 0.41245870 0.11712716 1.0 P P25 1 0.25000000 0.08754130 0.61712716 1.0 P P26 1 0.75000000 0.58754130 0.88287284 1.0 P P27 1 0.75000000 0.91245870 0.38287284 1.0 P P28 1 0.25000000 0.26652782 0.87268838 1.0 P P29 1 0.25000000 0.23347218 0.37268838 1.0 P P30 1 0.75000000 0.73347218 0.12731162 1.0 P P31 1 0.75000000 0.76652782 0.62731162 1.0 P P32 1 0.25000000 0.58457635 0.38013209 1.0 P P33 1 0.25000000 0.91542365 0.88013209 1.0 P P34 1 0.75000000 0.41542365 0.61986791 1.0 P P35 1 0.75000000 0.08457635 0.11986791 1.0