# generated using pymatgen data_Hf2Zr3BeAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67434441 _cell_length_b 10.30719407 _cell_length_c 17.48398808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr3BeAs3 _chemical_formula_sum 'Hf8 Zr12 Be4 As12' _cell_volume 662.15675897 _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 Hf Hf0 1 0.25000000 0.24196574 0.16855868 1.0 Hf Hf1 1 0.75000000 0.75803426 0.83144132 1.0 Hf Hf2 1 0.75000000 0.74196574 0.33144132 1.0 Hf Hf3 1 0.25000000 0.25803426 0.66855868 1.0 Hf Hf4 1 0.25000000 0.51555476 0.27323767 1.0 Hf Hf5 1 0.75000000 0.48444524 0.72676233 1.0 Hf Hf6 1 0.75000000 0.01555476 0.22676233 1.0 Hf Hf7 1 0.25000000 0.98444524 0.77323767 1.0 Zr Zr8 1 0.25000000 0.18572862 0.36916253 1.0 Zr Zr9 1 0.75000000 0.81427138 0.63083747 1.0 Zr Zr10 1 0.75000000 0.68572862 0.13083747 1.0 Zr Zr11 1 0.25000000 0.31427138 0.86916253 1.0 Zr Zr12 1 0.25000000 0.87783504 0.47743693 1.0 Zr Zr13 1 0.75000000 0.12216496 0.52256307 1.0 Zr Zr14 1 0.75000000 0.37783504 0.02256307 1.0 Zr Zr15 1 0.25000000 0.62216496 0.97743693 1.0 Zr Zr16 1 0.25000000 0.93815399 0.08020248 1.0 Zr Zr17 1 0.75000000 0.06184601 0.91979752 1.0 Zr Zr18 1 0.75000000 0.43815399 0.41979752 1.0 Zr Zr19 1 0.25000000 0.56184601 0.58020248 1.0 Be Be20 1 0.25000000 0.62785727 0.41313798 1.0 Be Be21 1 0.75000000 0.37214273 0.58686202 1.0 Be Be22 1 0.75000000 0.12785727 0.08686202 1.0 Be Be23 1 0.25000000 0.87214273 0.91313798 1.0 As As24 1 0.25000000 0.48968431 0.11812816 1.0 As As25 1 0.75000000 0.51031569 0.88187184 1.0 As As26 1 0.75000000 0.98968431 0.38187184 1.0 As As27 1 0.25000000 0.01031569 0.61812816 1.0 As As28 1 0.25000000 0.80945194 0.22267707 1.0 As As29 1 0.75000000 0.19054806 0.77732293 1.0 As As30 1 0.75000000 0.30945194 0.27732293 1.0 As As31 1 0.25000000 0.69054806 0.72267707 1.0 As As32 1 0.25000000 0.18213611 0.01126137 1.0 As As33 1 0.75000000 0.81786389 0.98873863 1.0 As As34 1 0.75000000 0.68213611 0.48873863 1.0 As As35 1 0.25000000 0.31786389 0.51126137 1.0