# generated using pymatgen data_Ba2B2Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70733471 _cell_length_b 5.70733673 _cell_length_c 21.38345182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999352 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2B2Rh5 _chemical_formula_sum 'Ba8 B8 Rh20' _cell_volume 603.21941523 _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 Ba Ba0 1 0.66673589 0.33326411 0.52262821 1.0 Ba Ba1 1 0.33326411 0.66673589 0.47737179 1.0 Ba Ba2 1 0.33326411 0.66673589 0.02262821 1.0 Ba Ba3 1 0.66673589 0.33326411 0.97737179 1.0 Ba Ba4 1 0.66675306 0.33324694 0.67574825 1.0 Ba Ba5 1 0.33324694 0.66675306 0.32425175 1.0 Ba Ba6 1 0.33324694 0.66675306 0.17574825 1.0 Ba Ba7 1 0.66675306 0.33324694 0.82425175 1.0 B B8 1 0.00013877 0.99986123 0.67982476 1.0 B B9 1 0.99986123 0.00013877 0.32017524 1.0 B B10 1 0.99986123 0.00013877 0.17982476 1.0 B B11 1 0.00013877 0.99986123 0.82017524 1.0 B B12 1 0.66661265 0.33338735 0.32684391 1.0 B B13 1 0.33338735 0.66661265 0.67315609 1.0 B B14 1 0.33338735 0.66661265 0.82684391 1.0 B B15 1 0.66661265 0.33338735 0.17315609 1.0 Rh Rh16 1 0.00000000 0.00000000 0.50000000 1.0 Rh Rh17 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh18 1 0.16879327 0.33738553 0.75000000 1.0 Rh Rh19 1 0.16877380 0.83122620 0.75000000 1.0 Rh Rh20 1 0.66261447 0.83120673 0.75000000 1.0 Rh Rh21 1 0.83120673 0.66261447 0.25000000 1.0 Rh Rh22 1 0.83122620 0.16877380 0.25000000 1.0 Rh Rh23 1 0.33738553 0.16879327 0.25000000 1.0 Rh Rh24 1 0.16091139 0.32148114 0.61476380 1.0 Rh Rh25 1 0.16090497 0.83909503 0.61474698 1.0 Rh Rh26 1 0.67851886 0.83908861 0.61476380 1.0 Rh Rh27 1 0.83908861 0.67851886 0.38523620 1.0 Rh Rh28 1 0.83909503 0.16090497 0.38525302 1.0 Rh Rh29 1 0.32148114 0.16091139 0.38523620 1.0 Rh Rh30 1 0.83908861 0.67851886 0.11476380 1.0 Rh Rh31 1 0.83909503 0.16090497 0.11474698 1.0 Rh Rh32 1 0.32148114 0.16091139 0.11476380 1.0 Rh Rh33 1 0.16091139 0.32148114 0.88523620 1.0 Rh Rh34 1 0.16090497 0.83909503 0.88525302 1.0 Rh Rh35 1 0.67851886 0.83908861 0.88523620 1.0