# generated using pymatgen data_Fe3Te2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61897500 _cell_length_b 3.61897500 _cell_length_c 18.84418400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Te2Se _chemical_formula_sum 'Fe6 Te4 Se2' _cell_volume 246.80190192 _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 0.00000000 0.99972200 1.0 Fe Fe1 1 0.50000000 0.00000000 0.33693900 1.0 Fe Fe2 1 0.50000000 0.00000000 0.66991200 1.0 Fe Fe3 1 0.00000000 0.50000000 0.99972200 1.0 Fe Fe4 1 0.00000000 0.50000000 0.33693900 1.0 Fe Fe5 1 0.00000000 0.50000000 0.66991200 1.0 Te Te6 1 0.50000000 0.50000000 0.23979700 1.0 Te Te7 1 0.50000000 0.50000000 0.57253000 1.0 Te Te8 1 0.50000000 0.50000000 0.90241700 1.0 Te Te9 1 0.00000000 0.00000000 0.09687800 1.0 Se Se10 1 0.00000000 0.00000000 0.42111000 1.0 Se Se11 1 0.00000000 0.00000000 0.75412300 1.0