# generated using pymatgen data_ErAl9(Fe2Si3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64580800 _cell_length_b 8.64580800 _cell_length_c 15.20046500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAl9(Fe2Si3)2 _chemical_formula_sum 'Er4 Al36 Fe16 Si24' _cell_volume 1136.23469754 _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 0.00000000 0.50000000 0.58546400 1.0 Er Er1 1 0.00000000 0.50000000 0.08546400 1.0 Er Er2 1 0.50000000 0.00000000 0.91453600 1.0 Er Er3 1 0.50000000 0.00000000 0.41453600 1.0 Al Al4 1 0.18288400 0.50000000 0.41095800 1.0 Al Al5 1 0.75405200 0.20219600 0.83095100 1.0 Al Al6 1 0.84448500 0.00000000 0.39799700 1.0 Al Al7 1 0.31711600 0.00000000 0.08904200 1.0 Al Al8 1 0.20219600 0.75405200 0.16904900 1.0 Al Al9 1 0.50000000 0.34448500 0.89799700 1.0 Al Al10 1 0.00000000 0.84448500 0.60200300 1.0 Al Al11 1 0.15551500 0.00000000 0.39799700 1.0 Al Al12 1 0.00000000 0.00000000 0.77191400 1.0 Al Al13 1 0.74594800 0.70219600 0.66904900 1.0 Al Al14 1 0.24594800 0.20219600 0.83095100 1.0 Al Al15 1 0.20219600 0.24594800 0.16904900 1.0 Al Al16 1 0.50000000 0.65551500 0.89799700 1.0 Al Al17 1 0.24594800 0.79780400 0.83095100 1.0 Al Al18 1 0.70219600 0.74594800 0.33095100 1.0 Al Al19 1 0.00000000 0.15551500 0.60200300 1.0 Al Al20 1 0.50000000 0.50000000 0.27191400 1.0 Al Al21 1 0.25405200 0.29780400 0.66904900 1.0 Al Al22 1 0.29780400 0.25405200 0.33095100 1.0 Al Al23 1 0.25405200 0.70219600 0.66904900 1.0 Al Al24 1 0.79780400 0.24594800 0.16904900 1.0 Al Al25 1 0.34448500 0.50000000 0.10200300 1.0 Al Al26 1 0.75405200 0.79780400 0.83095100 1.0 Al Al27 1 0.00000000 0.68288400 0.91095800 1.0 Al Al28 1 0.81711600 0.50000000 0.41095800 1.0 Al Al29 1 0.50000000 0.50000000 0.72808600 1.0 Al Al30 1 0.00000000 0.00000000 0.22808600 1.0 Al Al31 1 0.79780400 0.75405200 0.16904900 1.0 Al Al32 1 0.29780400 0.74594800 0.33095100 1.0 Al Al33 1 0.00000000 0.31711600 0.91095800 1.0 Al Al34 1 0.74594800 0.29780400 0.66904900 1.0 Al Al35 1 0.70219600 0.25405200 0.33095100 1.0 Al Al36 1 0.65551500 0.50000000 0.10200300 1.0 Al Al37 1 0.50000000 0.18288400 0.58904200 1.0 Al Al38 1 0.50000000 0.81711600 0.58904200 1.0 Al Al39 1 0.68288400 0.00000000 0.08904200 1.0 Fe Fe40 1 0.72240200 0.00000000 0.25010500 1.0 Fe Fe41 1 0.24488100 0.24488100 0.00000000 1.0 Fe Fe42 1 0.50000000 0.22240200 0.75010500 1.0 Fe Fe43 1 0.24488100 0.75511900 0.00000000 1.0 Fe Fe44 1 0.00000000 0.72240200 0.74989500 1.0 Fe Fe45 1 0.00000000 0.27759800 0.74989500 1.0 Fe Fe46 1 0.22240200 0.50000000 0.24989500 1.0 Fe Fe47 1 0.74488100 0.25511900 0.50000000 1.0 Fe Fe48 1 0.75511900 0.24488100 0.00000000 1.0 Fe Fe49 1 0.25511900 0.25511900 0.50000000 1.0 Fe Fe50 1 0.25511900 0.74488100 0.50000000 1.0 Fe Fe51 1 0.50000000 0.77759800 0.75010500 1.0 Fe Fe52 1 0.75511900 0.75511900 0.00000000 1.0 Fe Fe53 1 0.77759800 0.50000000 0.24989500 1.0 Fe Fe54 1 0.74488100 0.74488100 0.50000000 1.0 Fe Fe55 1 0.27759800 0.00000000 0.25010500 1.0 Si Si56 1 0.76108900 0.50000000 0.93861700 1.0 Si Si57 1 0.73891100 0.00000000 0.56138300 1.0 Si Si58 1 0.15596300 0.00000000 0.94356300 1.0 Si Si59 1 0.36170300 0.00000000 0.72058400 1.0 Si Si60 1 0.13829700 0.50000000 0.77941600 1.0 Si Si61 1 0.50000000 0.76108900 0.06138300 1.0 Si Si62 1 0.65596300 0.50000000 0.55643700 1.0 Si Si63 1 0.63829700 0.00000000 0.72058400 1.0 Si Si64 1 0.84403700 0.00000000 0.94356300 1.0 Si Si65 1 0.00000000 0.84403700 0.05643700 1.0 Si Si66 1 0.86170300 0.50000000 0.77941600 1.0 Si Si67 1 0.50000000 0.23891100 0.06138300 1.0 Si Si68 1 0.00000000 0.26108900 0.43861700 1.0 Si Si69 1 0.00000000 0.36170300 0.27941600 1.0 Si Si70 1 0.50000000 0.13829700 0.22058400 1.0 Si Si71 1 0.34403700 0.50000000 0.55643700 1.0 Si Si72 1 0.00000000 0.73891100 0.43861700 1.0 Si Si73 1 0.00000000 0.15596300 0.05643700 1.0 Si Si74 1 0.50000000 0.86170300 0.22058400 1.0 Si Si75 1 0.26108900 0.00000000 0.56138300 1.0 Si Si76 1 0.00000000 0.63829700 0.27941600 1.0 Si Si77 1 0.50000000 0.65596300 0.44356300 1.0 Si Si78 1 0.50000000 0.34403700 0.44356300 1.0 Si Si79 1 0.23891100 0.50000000 0.93861700 1.0