# generated using pymatgen data_Ca3(GaRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77128077 _cell_length_b 7.78148436 _cell_length_c 13.78090002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3(GaRh)2 _chemical_formula_sum 'Ca12 Ga8 Rh8' _cell_volume 618.88824544 _cell_formula_units_Z 4 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 0.14160174 0.60376104 0.09685266 1.0 Ca Ca1 1 0.14160174 0.89623896 0.90314734 1.0 Ca Ca2 1 0.85839826 0.10376104 0.40314734 1.0 Ca Ca3 1 0.85839826 0.39623896 0.59685266 1.0 Ca Ca4 1 0.85839826 0.39623896 0.90314734 1.0 Ca Ca5 1 0.85839826 0.10376104 0.09685266 1.0 Ca Ca6 1 0.14160174 0.89623896 0.59685266 1.0 Ca Ca7 1 0.14160174 0.60376104 0.40314734 1.0 Ca Ca8 1 0.37043705 0.25452297 0.25000000 1.0 Ca Ca9 1 0.37043705 0.24547703 0.75000000 1.0 Ca Ca10 1 0.62956295 0.75452297 0.25000000 1.0 Ca Ca11 1 0.62956295 0.74547703 0.75000000 1.0 Ga Ga12 1 0.40199385 0.25000000 0.00000000 1.0 Ga Ga13 1 0.59800615 0.75000000 0.50000000 1.0 Ga Ga14 1 0.59800615 0.75000000 0.00000000 1.0 Ga Ga15 1 0.40199385 0.25000000 0.50000000 1.0 Ga Ga16 1 0.84080803 0.40772420 0.25000000 1.0 Ga Ga17 1 0.84080803 0.09227580 0.75000000 1.0 Ga Ga18 1 0.15919197 0.90772420 0.25000000 1.0 Ga Ga19 1 0.15919197 0.59227580 0.75000000 1.0 Rh Rh20 1 0.64136554 0.47155405 0.09232283 1.0 Rh Rh21 1 0.64136554 0.02844595 0.90767717 1.0 Rh Rh22 1 0.35863446 0.97155405 0.40767717 1.0 Rh Rh23 1 0.35863446 0.52844595 0.59232283 1.0 Rh Rh24 1 0.35863446 0.52844595 0.90767717 1.0 Rh Rh25 1 0.35863446 0.97155405 0.09232283 1.0 Rh Rh26 1 0.64136554 0.02844595 0.59232283 1.0 Rh Rh27 1 0.64136554 0.47155405 0.40767717 1.0