# generated using pymatgen data_CsSc2(CoH6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56267343 _cell_length_b 4.56267555 _cell_length_c 9.34764051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999909 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsSc2(CoH6)2 _chemical_formula_sum 'Cs1 Sc2 Co2 H12' _cell_volume 168.52782313 _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 Cs Cs0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.38416219 1.0 Sc Sc2 1 0.33333300 0.66666700 0.61583781 1.0 Co Co3 1 0.66666700 0.33333300 0.68230012 1.0 Co Co4 1 0.33333300 0.66666700 0.31769988 1.0 H H5 1 0.17107721 0.82892279 0.40832668 1.0 H H6 1 0.65784757 0.82892279 0.40832668 1.0 H H7 1 0.17107721 0.34215243 0.40832668 1.0 H H8 1 0.82892279 0.17107721 0.59167332 1.0 H H9 1 0.34215243 0.17107721 0.59167332 1.0 H H10 1 0.82892279 0.65784757 0.59167332 1.0 H H11 1 0.51051813 0.02103526 0.78063344 1.0 H H12 1 0.51051813 0.48948187 0.78063344 1.0 H H13 1 0.97896474 0.48948187 0.78063344 1.0 H H14 1 0.48948187 0.97896474 0.21936656 1.0 H H15 1 0.48948187 0.51051813 0.21936656 1.0 H H16 1 0.02103526 0.51051813 0.21936656 1.0