# generated using pymatgen data_Cr5As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33441900 _cell_length_b 7.39880700 _cell_length_c 9.26039700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5As3 _chemical_formula_sum 'Cr20 As12' _cell_volume 434.00835635 _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 Cr Cr0 1 0.65171000 0.75000000 0.29185500 1.0 Cr Cr1 1 0.15171000 0.25000000 0.20814500 1.0 Cr Cr2 1 0.34829000 0.25000000 0.70814500 1.0 Cr Cr3 1 0.84829000 0.75000000 0.79185500 1.0 Cr Cr4 1 0.19406400 0.75000000 0.25057800 1.0 Cr Cr5 1 0.69406400 0.25000000 0.24942200 1.0 Cr Cr6 1 0.80593600 0.25000000 0.74942200 1.0 Cr Cr7 1 0.30593600 0.75000000 0.75057800 1.0 Cr Cr8 1 0.47439800 0.75000000 0.01642000 1.0 Cr Cr9 1 0.97439800 0.25000000 0.48358000 1.0 Cr Cr10 1 0.52560200 0.25000000 0.98358000 1.0 Cr Cr11 1 0.02560200 0.75000000 0.51642000 1.0 Cr Cr12 1 0.79911500 0.94430800 0.07681700 1.0 Cr Cr13 1 0.29911500 0.05569200 0.42318300 1.0 Cr Cr14 1 0.20088500 0.44430800 0.92318300 1.0 Cr Cr15 1 0.70088500 0.55569200 0.57681700 1.0 Cr Cr16 1 0.20088500 0.05569200 0.92318300 1.0 Cr Cr17 1 0.70088500 0.94430800 0.57681700 1.0 Cr Cr18 1 0.79911500 0.55569200 0.07681700 1.0 Cr Cr19 1 0.29911500 0.44430800 0.42318300 1.0 As As20 1 0.41442300 0.75000000 0.49437700 1.0 As As21 1 0.91442300 0.25000000 0.00562300 1.0 As As22 1 0.58557700 0.25000000 0.50562300 1.0 As As23 1 0.08557700 0.75000000 0.99437700 1.0 As As24 1 0.92837700 0.51547700 0.33000900 1.0 As As25 1 0.42837700 0.48452300 0.16999100 1.0 As As26 1 0.07162300 0.01547700 0.66999100 1.0 As As27 1 0.57162300 0.98452300 0.83000900 1.0 As As28 1 0.07162300 0.48452300 0.66999100 1.0 As As29 1 0.57162300 0.51547700 0.83000900 1.0 As As30 1 0.92837700 0.98452300 0.33000900 1.0 As As31 1 0.42837700 0.01547700 0.16999100 1.0