# generated using pymatgen data_CaLu2(SiRh2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51240475 _cell_length_b 5.51240413 _cell_length_c 14.75804744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999791 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLu2(SiRh2)3 _chemical_formula_sum 'Ca2 Lu4 Si6 Rh12' _cell_volume 388.36643670 _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 0.33333300 0.66666700 0.75000000 1.0 Ca Ca1 1 0.66666700 0.33333300 0.25000000 1.0 Lu Lu2 1 0.33333300 0.66666700 0.53877210 1.0 Lu Lu3 1 0.66666700 0.33333300 0.46122790 1.0 Lu Lu4 1 0.66666700 0.33333300 0.03877210 1.0 Lu Lu5 1 0.33333300 0.66666700 0.96122790 1.0 Si Si6 1 0.00000000 0.00000000 0.25000000 1.0 Si Si7 1 0.00000000 0.00000000 0.75000000 1.0 Si Si8 1 0.33333300 0.66666700 0.25000000 1.0 Si Si9 1 0.66666700 0.33333300 0.75000000 1.0 Si Si10 1 0.00000000 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.00000000 0.50000000 1.0 Rh Rh12 1 0.16715057 0.33430114 0.12788031 1.0 Rh Rh13 1 0.83284943 0.66569886 0.87211969 1.0 Rh Rh14 1 0.66569886 0.83284943 0.12788031 1.0 Rh Rh15 1 0.83284943 0.66569886 0.62788031 1.0 Rh Rh16 1 0.33430114 0.16715057 0.87211969 1.0 Rh Rh17 1 0.16715057 0.33430114 0.37211969 1.0 Rh Rh18 1 0.16715057 0.83284943 0.12788031 1.0 Rh Rh19 1 0.33430114 0.16715057 0.62788031 1.0 Rh Rh20 1 0.83284943 0.16715057 0.87211969 1.0 Rh Rh21 1 0.66569886 0.83284943 0.37211969 1.0 Rh Rh22 1 0.83284943 0.16715057 0.62788031 1.0 Rh Rh23 1 0.16715057 0.83284943 0.37211969 1.0