# generated using pymatgen data_Fe2Re5As12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11813800 _cell_length_b 12.85360700 _cell_length_c 15.84379400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Re5As12 _chemical_formula_sum 'Fe4 Re10 As24' _cell_volume 635.00849645 _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 Fe Fe0 1 0.50000000 0.12694900 0.34503100 1.0 Fe Fe1 1 0.50000000 0.87305100 0.65496900 1.0 Fe Fe2 1 0.00000000 0.37305100 0.84503100 1.0 Fe Fe3 1 0.00000000 0.62694900 0.15496900 1.0 Re Re4 1 0.50000000 0.31714000 0.10412400 1.0 Re Re5 1 0.50000000 0.68286000 0.89587600 1.0 Re Re6 1 0.00000000 0.18286000 0.60412400 1.0 Re Re7 1 0.00000000 0.81714000 0.39587600 1.0 Re Re8 1 0.50000000 0.91626300 0.26143000 1.0 Re Re9 1 0.50000000 0.08373700 0.73857000 1.0 Re Re10 1 0.00000000 0.58373700 0.76143000 1.0 Re Re11 1 0.00000000 0.41626300 0.23857000 1.0 Re Re12 1 0.50000000 0.50000000 0.50000000 1.0 Re Re13 1 0.00000000 0.00000000 0.00000000 1.0 As As14 1 0.50000000 0.90453600 0.09748900 1.0 As As15 1 0.50000000 0.09546400 0.90251100 1.0 As As16 1 0.00000000 0.59546400 0.59748900 1.0 As As17 1 0.00000000 0.40453600 0.40251100 1.0 As As18 1 0.50000000 0.57018800 0.25964800 1.0 As As19 1 0.50000000 0.42981200 0.74035200 1.0 As As20 1 0.00000000 0.92981200 0.75964800 1.0 As As21 1 0.00000000 0.07018800 0.24035200 1.0 As As22 1 0.50000000 0.65552900 0.40600800 1.0 As As23 1 0.50000000 0.34447100 0.59399200 1.0 As As24 1 0.00000000 0.84447100 0.90600800 1.0 As As25 1 0.00000000 0.15552900 0.09399200 1.0 As As26 1 0.50000000 0.97003500 0.42074800 1.0 As As27 1 0.50000000 0.02996500 0.57925200 1.0 As As28 1 0.00000000 0.52996500 0.92074800 1.0 As As29 1 0.00000000 0.47003500 0.07925200 1.0 As As30 1 0.50000000 0.70806300 0.05928900 1.0 As As31 1 0.50000000 0.29193700 0.94071100 1.0 As As32 1 0.00000000 0.79193700 0.55928900 1.0 As As33 1 0.00000000 0.20806300 0.44071100 1.0 As As34 1 0.50000000 0.72921600 0.74082600 1.0 As As35 1 0.50000000 0.27078400 0.25917400 1.0 As As36 1 0.00000000 0.77078400 0.24082600 1.0 As As37 1 0.00000000 0.22921600 0.75917400 1.0