# generated using pymatgen data_ErCrFe4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61139167 _cell_length_b 10.59184144 _cell_length_c 11.96555702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErCrFe4P3 _chemical_formula_sum 'Er4 Cr4 Fe16 P12' _cell_volume 457.69796667 _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 Er Er0 1 0.25000000 0.58308527 0.70567292 1.0 Er Er1 1 0.25000000 0.91691473 0.20567292 1.0 Er Er2 1 0.75000000 0.41691473 0.29432708 1.0 Er Er3 1 0.75000000 0.08308527 0.79432708 1.0 Cr Cr4 1 0.25000000 0.70290782 0.97998510 1.0 Cr Cr5 1 0.25000000 0.79709218 0.47998510 1.0 Cr Cr6 1 0.75000000 0.29709218 0.02001490 1.0 Cr Cr7 1 0.75000000 0.20290782 0.52001490 1.0 Fe Fe8 1 0.25000000 0.40396191 0.48771603 1.0 Fe Fe9 1 0.25000000 0.09603909 0.98771603 1.0 Fe Fe10 1 0.75000000 0.59603809 0.51228397 1.0 Fe Fe11 1 0.75000000 0.90396191 0.01228397 1.0 Fe Fe12 1 0.25000000 0.21722025 0.17748258 1.0 Fe Fe13 1 0.25000000 0.28277975 0.67748258 1.0 Fe Fe14 1 0.75000000 0.78277975 0.82251742 1.0 Fe Fe15 1 0.75000000 0.71722025 0.32251742 1.0 Fe Fe16 1 0.25000000 0.87405567 0.70456358 1.0 Fe Fe17 1 0.25000000 0.62594433 0.20456358 1.0 Fe Fe18 1 0.75000000 0.12594433 0.29543642 1.0 Fe Fe19 1 0.75000000 0.37405567 0.79543642 1.0 Fe Fe20 1 0.25000000 0.46055872 0.93357283 1.0 Fe Fe21 1 0.25000000 0.03944128 0.43357283 1.0 Fe Fe22 1 0.75000000 0.53944128 0.06642717 1.0 Fe Fe23 1 0.75000000 0.96055872 0.56642717 1.0 P P24 1 0.25000000 0.42518298 0.11456050 1.0 P P25 1 0.25000000 0.07481702 0.61456050 1.0 P P26 1 0.75000000 0.57481702 0.88543950 1.0 P P27 1 0.75000000 0.92518298 0.38543950 1.0 P P28 1 0.25000000 0.26435941 0.87469912 1.0 P P29 1 0.25000000 0.23564059 0.37469912 1.0 P P30 1 0.75000000 0.73564059 0.12530088 1.0 P P31 1 0.75000000 0.76435941 0.62530088 1.0 P P32 1 0.25000000 0.58970821 0.39632375 1.0 P P33 1 0.25000000 0.91029179 0.89632375 1.0 P P34 1 0.75000000 0.41029179 0.60367625 1.0 P P35 1 0.75000000 0.08970821 0.10367625 1.0