# generated using pymatgen data_Ca2Nb3As7Rh9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99051709 _cell_length_b 9.91800014 _cell_length_c 9.91800179 _cell_angle_alpha 119.99999901 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Nb3As7Rh9 _chemical_formula_sum 'Ca2 Nb3 As7 Rh9' _cell_volume 339.94456591 _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 0.00000000 0.66666700 0.33333300 1.0 Ca Ca1 1 0.50000000 0.33333300 0.66666700 1.0 Nb Nb2 1 0.50000000 0.78070161 0.90378625 1.0 Nb Nb3 1 0.50000000 0.12308364 0.21929839 1.0 Nb Nb4 1 0.50000000 0.09621375 0.87691636 1.0 As As5 1 0.50000000 0.70958565 0.12202662 1.0 As As6 1 0.50000000 0.41244297 0.29041435 1.0 As As7 1 0.50000000 0.87797338 0.58755703 1.0 As As8 1 0.00000000 0.00000000 0.00000000 1.0 As As9 1 0.00000000 0.58296898 0.70219595 1.0 As As10 1 0.00000000 0.11922697 0.41703102 1.0 As As11 1 0.00000000 0.29780405 0.88077303 1.0 Rh Rh12 1 0.00000000 0.56523069 0.93630862 1.0 Rh Rh13 1 0.00000000 0.37107693 0.43476931 1.0 Rh Rh14 1 0.00000000 0.06369138 0.62892307 1.0 Rh Rh15 1 0.00000000 0.88353348 0.15922749 1.0 Rh Rh16 1 0.00000000 0.27569401 0.11646652 1.0 Rh Rh17 1 0.00000000 0.84077251 0.72430599 1.0 Rh Rh18 1 0.50000000 0.95176336 0.38662589 1.0 Rh Rh19 1 0.50000000 0.43486254 0.04823664 1.0 Rh Rh20 1 0.50000000 0.61337411 0.56513746 1.0