# generated using pymatgen data_Er3Mn4Ni5P6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75288843 _cell_length_b 10.40255496 _cell_length_c 12.47232266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Mn4Ni5P6 _chemical_formula_sum 'Er6 Mn8 Ni10 P12' _cell_volume 486.91483823 _cell_formula_units_Z 2 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 Er Er0 1 0.00000000 0.50000000 0.52183804 1.0 Er Er1 1 0.50000000 0.00000000 0.47816196 1.0 Er Er2 1 0.50000000 0.81789663 0.21451191 1.0 Er Er3 1 0.50000000 0.18210337 0.21451191 1.0 Er Er4 1 0.00000000 0.68210337 0.78548809 1.0 Er Er5 1 0.00000000 0.31789663 0.78548809 1.0 Mn Mn6 1 0.50000000 0.50000000 0.16269531 1.0 Mn Mn7 1 0.00000000 0.00000000 0.83730469 1.0 Mn Mn8 1 0.00000000 0.50000000 0.98540090 1.0 Mn Mn9 1 0.50000000 0.00000000 0.01459910 1.0 Mn Mn10 1 0.50000000 0.33516110 0.99646262 1.0 Mn Mn11 1 0.50000000 0.66483890 0.99646262 1.0 Mn Mn12 1 0.00000000 0.16483890 0.00353738 1.0 Mn Mn13 1 0.00000000 0.83516110 0.00353738 1.0 Ni Ni14 1 0.50000000 0.50000000 0.69738307 1.0 Ni Ni15 1 0.00000000 0.00000000 0.30261693 1.0 Ni Ni16 1 0.50000000 0.30075559 0.43153064 1.0 Ni Ni17 1 0.50000000 0.69924441 0.43153064 1.0 Ni Ni18 1 0.00000000 0.19924441 0.56846936 1.0 Ni Ni19 1 0.00000000 0.80075559 0.56846936 1.0 Ni Ni20 1 0.50000000 0.87830078 0.70640798 1.0 Ni Ni21 1 0.50000000 0.12169922 0.70640798 1.0 Ni Ni22 1 0.00000000 0.62169922 0.29359202 1.0 Ni Ni23 1 0.00000000 0.37830078 0.29359202 1.0 P P24 1 0.50000000 0.50000000 0.87171970 1.0 P P25 1 0.00000000 0.00000000 0.12828030 1.0 P P26 1 0.50000000 0.50000000 0.35318949 1.0 P P27 1 0.00000000 0.00000000 0.64681051 1.0 P P28 1 0.50000000 0.31371556 0.61285065 1.0 P P29 1 0.50000000 0.68628444 0.61285065 1.0 P P30 1 0.00000000 0.18628444 0.38714935 1.0 P P31 1 0.00000000 0.81371556 0.38714935 1.0 P P32 1 0.50000000 0.84255716 0.88659078 1.0 P P33 1 0.50000000 0.15744284 0.88659078 1.0 P P34 1 0.00000000 0.65744284 0.11340922 1.0 P P35 1 0.00000000 0.34255716 0.11340922 1.0