# generated using pymatgen data_La2Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37647136 _cell_length_b 5.37647136 _cell_length_c 26.38826755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00002061 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ir7 _chemical_formula_sum 'La8 Ir28' _cell_volume 660.59623302 _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 La La0 1 0.33333300 0.66666700 0.47121127 1.0 La La1 1 0.66666700 0.33333300 0.52878873 1.0 La La2 1 0.66666700 0.33333300 0.97121127 1.0 La La3 1 0.33333300 0.66666700 0.02878873 1.0 La La4 1 0.33333300 0.66666700 0.32556229 1.0 La La5 1 0.66666700 0.33333300 0.67443771 1.0 La La6 1 0.66666700 0.33333300 0.82556229 1.0 La La7 1 0.33333300 0.66666700 0.17443771 1.0 Ir Ir8 1 -0.00000000 -0.00000000 0.50000000 1.0 Ir Ir9 1 -0.00000000 -0.00000000 0.00000000 1.0 Ir Ir10 1 0.83209684 0.16790316 0.25000000 1.0 Ir Ir11 1 0.83209684 0.66419368 0.25000000 1.0 Ir Ir12 1 0.33580632 0.16790316 0.25000000 1.0 Ir Ir13 1 0.16790316 0.83209684 0.75000000 1.0 Ir Ir14 1 0.16790316 0.33580632 0.75000000 1.0 Ir Ir15 1 0.66419368 0.83209684 0.75000000 1.0 Ir Ir16 1 0.83487591 0.16512409 0.41281181 1.0 Ir Ir17 1 0.83487591 0.66975281 0.41281181 1.0 Ir Ir18 1 0.33024719 0.16512409 0.41281181 1.0 Ir Ir19 1 0.16512409 0.83487591 0.58718819 1.0 Ir Ir20 1 0.16512409 0.33024719 0.58718819 1.0 Ir Ir21 1 0.66975281 0.83487591 0.58718819 1.0 Ir Ir22 1 0.16512409 0.83487591 0.91281181 1.0 Ir Ir23 1 0.16512409 0.33024719 0.91281181 1.0 Ir Ir24 1 0.66975281 0.83487591 0.91281181 1.0 Ir Ir25 1 0.83487591 0.16512409 0.08718819 1.0 Ir Ir26 1 0.83487591 0.66975281 0.08718819 1.0 Ir Ir27 1 0.33024719 0.16512409 0.08718819 1.0 Ir Ir28 1 -0.00000000 -0.00000000 0.33166184 1.0 Ir Ir29 1 -0.00000000 -0.00000000 0.66833816 1.0 Ir Ir30 1 -0.00000000 -0.00000000 0.83166184 1.0 Ir Ir31 1 -0.00000000 -0.00000000 0.16833816 1.0 Ir Ir32 1 0.33333300 0.66666700 0.66641234 1.0 Ir Ir33 1 0.66666700 0.33333300 0.33358766 1.0 Ir Ir34 1 0.66666700 0.33333300 0.16641234 1.0 Ir Ir35 1 0.33333300 0.66666700 0.83358766 1.0