# generated using pymatgen data_Ca6Ta4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99627605 _cell_length_b 8.99627731 _cell_length_c 8.99627677 _cell_angle_alpha 60.00000198 _cell_angle_beta 59.99999735 _cell_angle_gamma 60.00000286 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Ta4Al12Ir7 _chemical_formula_sum 'Ca6 Ta4 Al12 Ir7' _cell_volume 514.84135554 _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 Ca Ca0 1 0.70174785 0.70174785 0.29825215 1.0 Ca Ca1 1 0.29825215 0.70174785 0.29825215 1.0 Ca Ca2 1 0.70174785 0.29825215 0.29825215 1.0 Ca Ca3 1 0.29825215 0.29825215 0.70174785 1.0 Ca Ca4 1 0.70174785 0.29825215 0.70174785 1.0 Ca Ca5 1 0.29825215 0.70174785 0.70174785 1.0 Ta Ta6 1 0.87996742 0.87996742 0.36009875 1.0 Ta Ta7 1 0.87996742 0.36009875 0.87996742 1.0 Ta Ta8 1 0.36009875 0.87996742 0.87996742 1.0 Ta Ta9 1 0.87996742 0.87996742 0.87996742 1.0 Al Al10 1 0.12134615 0.12134615 0.63596055 1.0 Al Al11 1 0.12134615 0.63596055 0.12134615 1.0 Al Al12 1 0.63596055 0.12134615 0.12134615 1.0 Al Al13 1 0.12134615 0.12134615 0.12134615 1.0 Al Al14 1 0.67140171 0.67140171 0.98579588 1.0 Al Al15 1 0.67140171 0.98579588 0.67140171 1.0 Al Al16 1 0.98579588 0.67140171 0.67140171 1.0 Al Al17 1 0.67140171 0.67140171 0.67140171 1.0 Al Al18 1 0.32649198 0.32649198 0.02052607 1.0 Al Al19 1 0.32649198 0.02052607 0.32649198 1.0 Al Al20 1 0.02052607 0.32649198 0.32649198 1.0 Al Al21 1 0.32649198 0.32649198 0.32649198 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99692841 0.99692841 0.50307159 1.0 Ir Ir24 1 0.50307159 0.99692841 0.50307159 1.0 Ir Ir25 1 0.99692841 0.50307159 0.50307159 1.0 Ir Ir26 1 0.50307159 0.50307159 0.99692841 1.0 Ir Ir27 1 0.99692841 0.50307159 0.99692841 1.0 Ir Ir28 1 0.50307159 0.99692841 0.99692841 1.0