# generated using pymatgen data_Al5(BiS4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59775500 _cell_length_b 7.59775500 _cell_length_c 36.18337600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5(BiS4)3 _chemical_formula_sum 'Al20 Bi12 S48' _cell_volume 2088.71725860 _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 Al Al0 1 0.00000000 0.00000000 0.83331400 1.0 Al Al1 1 0.00000000 0.00000000 0.16668600 1.0 Al Al2 1 0.00000000 0.00000000 0.91769700 1.0 Al Al3 1 0.00000000 0.00000000 0.25000000 1.0 Al Al4 1 0.00000000 0.00000000 0.58230300 1.0 Al Al5 1 0.00000000 0.00000000 0.33331400 1.0 Al Al6 1 0.00000000 0.00000000 0.66668600 1.0 Al Al7 1 0.50000000 0.50000000 0.08309600 1.0 Al Al8 1 0.50000000 0.50000000 0.41690400 1.0 Al Al9 1 0.50000000 0.50000000 0.00000000 1.0 Al Al10 1 0.50000000 0.50000000 0.33267600 1.0 Al Al11 1 0.50000000 0.50000000 0.66732400 1.0 Al Al12 1 0.50000000 0.50000000 0.83267600 1.0 Al Al13 1 0.50000000 0.50000000 0.16732400 1.0 Al Al14 1 0.50000000 0.50000000 0.50000000 1.0 Al Al15 1 0.00000000 0.00000000 0.08230300 1.0 Al Al16 1 0.00000000 0.00000000 0.41769700 1.0 Al Al17 1 0.00000000 0.00000000 0.75000000 1.0 Al Al18 1 0.50000000 0.50000000 0.91690400 1.0 Al Al19 1 0.50000000 0.50000000 0.58309600 1.0 Bi Bi20 1 0.50000000 0.00000000 0.12696700 1.0 Bi Bi21 1 0.50000000 0.00000000 0.46149900 1.0 Bi Bi22 1 0.50000000 0.00000000 0.79277200 1.0 Bi Bi23 1 0.00000000 0.50000000 0.87303300 1.0 Bi Bi24 1 0.00000000 0.50000000 0.20722800 1.0 Bi Bi25 1 0.00000000 0.50000000 0.53850100 1.0 Bi Bi26 1 0.50000000 0.00000000 0.03850100 1.0 Bi Bi27 1 0.50000000 0.00000000 0.37303300 1.0 Bi Bi28 1 0.50000000 0.00000000 0.70722800 1.0 Bi Bi29 1 0.00000000 0.50000000 0.96149900 1.0 Bi Bi30 1 0.00000000 0.50000000 0.29277200 1.0 Bi Bi31 1 0.00000000 0.50000000 0.62696700 1.0 S S32 1 0.84112100 0.83975400 0.87479500 1.0 S S33 1 0.84109700 0.83865500 0.20832200 1.0 S S34 1 0.84629600 0.83331700 0.54280800 1.0 S S35 1 0.65902800 0.33893400 0.04158700 1.0 S S36 1 0.65786400 0.33897000 0.37524200 1.0 S S37 1 0.65021800 0.33003000 0.70671700 1.0 S S38 1 0.33893400 0.34097200 0.95841300 1.0 S S39 1 0.33003000 0.34978200 0.29328300 1.0 S S40 1 0.33897000 0.34213600 0.62475800 1.0 S S41 1 0.83975400 0.15887900 0.12520500 1.0 S S42 1 0.83331700 0.15370400 0.45719200 1.0 S S43 1 0.83865500 0.15890300 0.79167800 1.0 S S44 1 0.34097200 0.66106600 0.04158700 1.0 S S45 1 0.34213600 0.66103000 0.37524200 1.0 S S46 1 0.34978200 0.66997000 0.70671700 1.0 S S47 1 0.15887900 0.16024600 0.87479500 1.0 S S48 1 0.15890300 0.16134500 0.20832200 1.0 S S49 1 0.15370400 0.16668300 0.54280800 1.0 S S50 1 0.83331700 0.84629600 0.04280800 1.0 S S51 1 0.83975400 0.84112100 0.37479500 1.0 S S52 1 0.83865500 0.84109700 0.70832200 1.0 S S53 1 0.66106600 0.65902800 0.95841300 1.0 S S54 1 0.66997000 0.65021800 0.29328300 1.0 S S55 1 0.66103000 0.65786400 0.62475800 1.0 S S56 1 0.65786400 0.66103000 0.12475800 1.0 S S57 1 0.65902800 0.66106600 0.45841300 1.0 S S58 1 0.65021800 0.66997000 0.79328300 1.0 S S59 1 0.16024600 0.84112100 0.12520500 1.0 S S60 1 0.16668300 0.84629600 0.45719200 1.0 S S61 1 0.16134500 0.84109700 0.79167800 1.0 S S62 1 0.66103000 0.34213600 0.87524200 1.0 S S63 1 0.66997000 0.34978200 0.20671700 1.0 S S64 1 0.66106600 0.34097200 0.54158700 1.0 S S65 1 0.33897000 0.65786400 0.87524200 1.0 S S66 1 0.33003000 0.65021800 0.20671700 1.0 S S67 1 0.33893400 0.65902800 0.54158700 1.0 S S68 1 0.16668300 0.15370400 0.04280800 1.0 S S69 1 0.16024600 0.15887900 0.37479500 1.0 S S70 1 0.16134500 0.15890300 0.70832200 1.0 S S71 1 0.15370400 0.83331700 0.95719200 1.0 S S72 1 0.15890300 0.83865500 0.29167800 1.0 S S73 1 0.15887900 0.83975400 0.62520500 1.0 S S74 1 0.84629600 0.16668300 0.95719200 1.0 S S75 1 0.84109700 0.16134500 0.29167800 1.0 S S76 1 0.84112100 0.16024600 0.62520500 1.0 S S77 1 0.34213600 0.33897000 0.12475800 1.0 S S78 1 0.34097200 0.33893400 0.45841300 1.0 S S79 1 0.34978200 0.33003000 0.79328300 1.0