# generated using pymatgen data_CaHf(Ga3Rh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43278860 _cell_length_b 7.41113816 _cell_length_c 9.39637379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.89029888 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf(Ga3Rh)3 _chemical_formula_sum 'Ca2 Hf2 Ga18 Rh6' _cell_volume 448.75223510 _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 Ca Ca0 1 0.66863388 0.99633108 0.25000000 1.0 Ca Ca1 1 0.33136612 0.00366892 0.75000000 1.0 Hf Hf2 1 0.99863534 0.67180168 0.25000000 1.0 Hf Hf3 1 0.00136466 0.32819832 0.75000000 1.0 Ga Ga4 1 0.12727201 0.12427304 0.25000000 1.0 Ga Ga5 1 0.87272799 0.87572696 0.75000000 1.0 Ga Ga6 1 0.00024702 0.33813583 0.07806078 1.0 Ga Ga7 1 0.99975298 0.66186417 0.92193922 1.0 Ga Ga8 1 0.99975298 0.66186417 0.57806078 1.0 Ga Ga9 1 0.33131274 0.99941763 0.41792441 1.0 Ga Ga10 1 0.00024702 0.33813583 0.42193922 1.0 Ga Ga11 1 0.66868726 0.00058237 0.58207559 1.0 Ga Ga12 1 0.66868726 0.00058237 0.91792441 1.0 Ga Ga13 1 0.33131274 0.99941763 0.08207559 1.0 Ga Ga14 1 0.33112187 0.33468563 0.57040235 1.0 Ga Ga15 1 0.66887813 0.66531437 0.42959765 1.0 Ga Ga16 1 0.66887813 0.66531437 0.07040235 1.0 Ga Ga17 1 0.33112187 0.33468563 0.92959765 1.0 Ga Ga18 1 0.33056357 0.54404399 0.25000000 1.0 Ga Ga19 1 0.66943643 0.45595601 0.75000000 1.0 Ga Ga20 1 0.55492129 0.34335756 0.25000000 1.0 Ga Ga21 1 0.44507871 0.65664244 0.75000000 1.0 Rh Rh22 1 0.67156020 0.32789508 0.99873561 1.0 Rh Rh23 1 0.32843980 0.67210492 0.00126439 1.0 Rh Rh24 1 0.32843980 0.67210492 0.49873561 1.0 Rh Rh25 1 0.67156020 0.32789508 0.50126439 1.0 Rh Rh26 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh27 1 0.00000000 0.00000000 0.50000000 1.0