# generated using pymatgen data_Zr7Ti(InCu2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18815003 _cell_length_b 7.18815033 _cell_length_c 6.79822732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.11296970 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Ti(InCu2)4 _chemical_formula_sum 'Zr7 Ti1 In4 Cu8' _cell_volume 351.26034400 _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 Zr Zr0 1 0.15078610 0.15078610 0.00000000 1.0 Zr Zr1 1 0.85007094 0.85007094 0.00000000 1.0 Zr Zr2 1 0.64803277 0.34721571 0.50000000 1.0 Zr Zr3 1 0.34721571 0.64803277 0.50000000 1.0 Zr Zr4 1 0.69137456 0.30702552 0.00000000 1.0 Zr Zr5 1 0.30702552 0.69137456 0.00000000 1.0 Zr Zr6 1 0.80802773 0.80802773 0.50000000 1.0 Ti Ti7 1 0.19191683 0.19191683 0.50000000 1.0 In In8 1 0.49674500 0.00126279 0.25417255 1.0 In In9 1 0.49674500 0.00126279 0.74582745 1.0 In In10 1 0.00126279 0.49674500 0.25417255 1.0 In In11 1 0.00126279 0.49674500 0.74582745 1.0 Cu Cu12 1 0.37446858 0.37446858 0.20610955 1.0 Cu Cu13 1 0.62290505 0.62290505 0.79907801 1.0 Cu Cu14 1 0.62290505 0.62290505 0.20092199 1.0 Cu Cu15 1 0.88214160 0.12525141 0.69788433 1.0 Cu Cu16 1 0.88214160 0.12525141 0.30211567 1.0 Cu Cu17 1 0.37446858 0.37446858 0.79389045 1.0 Cu Cu18 1 0.12525141 0.88214160 0.30211567 1.0 Cu Cu19 1 0.12525141 0.88214160 0.69788433 1.0