# generated using pymatgen data_Pr2(Ga3Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47458415 _cell_length_b 7.47458415 _cell_length_c 9.86596317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.70956789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2(Ga3Ru)3 _chemical_formula_sum 'Pr4 Ga18 Ru6' _cell_volume 483.44360083 _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 Pr Pr0 1 0.99818838 0.67476059 0.25000000 1.0 Pr Pr1 1 0.00181162 0.32523941 0.75000000 1.0 Pr Pr2 1 0.67476059 0.99818838 0.25000000 1.0 Pr Pr3 1 0.32523941 0.00181162 0.75000000 1.0 Ga Ga4 1 0.13784622 0.13784622 0.25000000 1.0 Ga Ga5 1 0.86215378 0.86215378 0.75000000 1.0 Ga Ga6 1 0.01396034 0.33868752 0.07207088 1.0 Ga Ga7 1 0.98603966 0.66131248 0.92792912 1.0 Ga Ga8 1 0.98603966 0.66131248 0.57207088 1.0 Ga Ga9 1 0.33868752 0.01396034 0.42792912 1.0 Ga Ga10 1 0.01396034 0.33868752 0.42792912 1.0 Ga Ga11 1 0.66131248 0.98603966 0.57207088 1.0 Ga Ga12 1 0.66131248 0.98603966 0.92792912 1.0 Ga Ga13 1 0.33868752 0.01396034 0.07207088 1.0 Ga Ga14 1 0.34071345 0.34071345 0.55632066 1.0 Ga Ga15 1 0.65928655 0.65928655 0.44367934 1.0 Ga Ga16 1 0.65928655 0.65928655 0.05632066 1.0 Ga Ga17 1 0.34071345 0.34071345 0.94367934 1.0 Ga Ga18 1 0.33920123 0.54920453 0.25000000 1.0 Ga Ga19 1 0.66079877 0.45079547 0.75000000 1.0 Ga Ga20 1 0.54920453 0.33920123 0.25000000 1.0 Ga Ga21 1 0.45079547 0.66079877 0.75000000 1.0 Ru Ru22 1 0.67555536 0.32444464 0.00000000 1.0 Ru Ru23 1 0.32444464 0.67555536 0.00000000 1.0 Ru Ru24 1 0.32444464 0.67555536 0.50000000 1.0 Ru Ru25 1 0.67555536 0.32444464 0.50000000 1.0 Ru Ru26 1 0.00000000 -0.00000000 0.00000000 1.0 Ru Ru27 1 0.00000000 -0.00000000 0.50000000 1.0