# generated using pymatgen data_Er2Tc6P7Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41388277 _cell_length_b 9.41388311 _cell_length_c 3.96040286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Tc6P7Ir6 _chemical_formula_sum 'Er2 Tc6 P7 Ir6' _cell_volume 303.95379843 _cell_formula_units_Z 1 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 0.33333300 0.66666700 0.00000000 1.0 Er Er1 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc2 1 0.55589565 0.06075379 0.00000000 1.0 Tc Tc3 1 0.93924621 0.49514286 0.00000000 1.0 Tc Tc4 1 0.50485714 0.44410435 0.00000000 1.0 Tc Tc5 1 0.79217052 0.24120475 0.50000000 1.0 Tc Tc6 1 0.75879525 0.55096676 0.50000000 1.0 Tc Tc7 1 0.44903324 0.20782948 0.50000000 1.0 P P8 1 0.78299315 0.03451984 0.00000000 1.0 P P9 1 0.96548016 0.74847231 0.00000000 1.0 P P10 1 0.25152769 0.21700685 0.00000000 1.0 P P11 1 0.38847945 0.93422635 0.50000000 1.0 P P12 1 0.06577365 0.45425410 0.50000000 1.0 P P13 1 0.54574590 0.61152055 0.50000000 1.0 P P14 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir15 1 0.03167192 0.26174799 0.00000000 1.0 Ir Ir16 1 0.73825201 0.76992293 0.00000000 1.0 Ir Ir17 1 0.23007707 0.96832808 0.00000000 1.0 Ir Ir18 1 0.60837383 0.88324473 0.50000000 1.0 Ir Ir19 1 0.11675527 0.72512810 0.50000000 1.0 Ir Ir20 1 0.27487190 0.39162617 0.50000000 1.0