# generated using pymatgen data_Zr2Ga3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46760223 _cell_length_b 5.46760292 _cell_length_c 7.42579765 _cell_angle_alpha 100.73693124 _cell_angle_beta 100.73694002 _cell_angle_gamma 119.60088675 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ga3 _chemical_formula_sum 'Zr4 Ga6' _cell_volume 179.29254198 _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 Zr Zr0 1 0.11262457 0.75467182 0.89583835 1.0 Zr Zr1 1 0.85883547 0.21678622 0.10416165 1.0 Zr Zr2 1 0.00467182 0.86262557 0.39583835 1.0 Zr Zr3 1 0.46678622 0.60883547 0.60416165 1.0 Ga Ga4 1 0.59549173 0.59549173 0.00000000 1.0 Ga Ga5 1 0.84549173 0.34549173 0.50000000 1.0 Ga Ga6 1 0.52277788 0.16330903 0.73303767 1.0 Ga Ga7 1 0.43027036 0.78973820 0.26696233 1.0 Ga Ga8 1 0.41330903 0.27277788 0.23303767 1.0 Ga Ga9 1 0.03973820 0.18027036 0.76696233 1.0