# generated using pymatgen data_Fe2Tc5As12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12783212 _cell_length_b 12.72062665 _cell_length_c 15.68125477 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Tc5As12 _chemical_formula_sum 'Fe4 Tc10 As24' _cell_volume 623.92552373 _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 0.12725308 0.34587181 1.0 Fe Fe1 1 0.50000000 0.87274692 0.65412819 1.0 Fe Fe2 1 0.00000000 0.37274692 0.84587181 1.0 Fe Fe3 1 0.00000000 0.62725308 0.15412819 1.0 Tc Tc4 1 0.50000000 0.31345710 0.10316746 1.0 Tc Tc5 1 0.50000000 0.68654290 0.89683254 1.0 Tc Tc6 1 0.00000000 0.18654290 0.60316746 1.0 Tc Tc7 1 0.00000000 0.81345710 0.39683254 1.0 Tc Tc8 1 0.50000000 0.91582935 0.26099694 1.0 Tc Tc9 1 0.50000000 0.08417065 0.73900306 1.0 Tc Tc10 1 0.00000000 0.58417065 0.76099694 1.0 Tc Tc11 1 0.00000000 0.41582935 0.23900306 1.0 Tc Tc12 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc13 1 0.00000000 0.00000000 0.00000000 1.0 As As14 1 0.50000000 0.90450980 0.09650537 1.0 As As15 1 0.50000000 0.09549020 0.90349463 1.0 As As16 1 0.00000000 0.59549020 0.59650537 1.0 As As17 1 0.00000000 0.40450980 0.40349463 1.0 As As18 1 0.50000000 0.56815543 0.25934809 1.0 As As19 1 0.50000000 0.43184457 0.74065191 1.0 As As20 1 0.00000000 0.93184457 0.75934809 1.0 As As21 1 0.00000000 0.06815543 0.24065191 1.0 As As22 1 0.50000000 0.65331834 0.40481843 1.0 As As23 1 0.50000000 0.34668166 0.59518157 1.0 As As24 1 0.00000000 0.84668166 0.90481843 1.0 As As25 1 0.00000000 0.15331834 0.09518157 1.0 As As26 1 0.50000000 0.96358129 0.41845877 1.0 As As27 1 0.50000000 0.03641871 0.58154123 1.0 As As28 1 0.00000000 0.53641871 0.91845877 1.0 As As29 1 0.00000000 0.46358129 0.08154123 1.0 As As30 1 0.50000000 0.70950746 0.05941720 1.0 As As31 1 0.50000000 0.29049254 0.94058280 1.0 As As32 1 0.00000000 0.79049254 0.55941720 1.0 As As33 1 0.00000000 0.20950746 0.44058280 1.0 As As34 1 0.50000000 0.72853787 0.74288619 1.0 As As35 1 0.50000000 0.27146213 0.25711381 1.0 As As36 1 0.00000000 0.77146213 0.24288619 1.0 As As37 1 0.00000000 0.22853787 0.75711381 1.0