# generated using pymatgen data_Ca2Lu2As6Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20811057 _cell_length_b 7.20811081 _cell_length_c 7.17598371 _cell_angle_alpha 109.41290224 _cell_angle_beta 109.41291062 _cell_angle_gamma 109.76819275 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Lu2As6Rh7 _chemical_formula_sum 'Ca2 Lu2 As6 Rh7' _cell_volume 286.37024562 _cell_formula_units_Z 1 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 0.50000000 0.50000000 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu2 1 0.00000000 0.50000000 0.00000000 1.0 Lu Lu3 1 0.50000000 0.00000000 0.00000000 1.0 As As4 1 0.68016200 0.99929030 0.67945230 1.0 As As5 1 0.67923464 0.67923464 0.00000000 1.0 As As6 1 0.32076536 0.32076536 1.00000000 1.0 As As7 1 0.99929030 0.68016200 0.67945230 1.0 As As8 1 0.00070970 0.31983800 0.32054770 1.0 As As9 1 0.31983800 0.00070970 0.32054770 1.0 Rh Rh10 1 0.49305861 0.75052760 0.24358521 1.0 Rh Rh11 1 0.75000000 0.25000000 0.50000000 1.0 Rh Rh12 1 0.25000000 0.75000000 0.50000000 1.0 Rh Rh13 1 0.24947240 0.50694139 0.75641479 1.0 Rh Rh14 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh15 1 0.50694139 0.24947240 0.75641479 1.0 Rh Rh16 1 0.75052760 0.49305861 0.24358521 1.0