# generated using pymatgen data_Pr4(TmS2)11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.57072054 _cell_length_b 19.57072054 _cell_length_c 11.30193040 _cell_angle_alpha 88.55147749 _cell_angle_beta 88.55147749 _cell_angle_gamma 11.52007607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4(TmS2)11 _chemical_formula_sum 'Pr4 Tm11 S22' _cell_volume 864.22861022 _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 Pr Pr0 1 0.10451900 0.10451900 0.98712100 1.0 Pr Pr1 1 0.89548100 0.89548100 0.01287900 1.0 Pr Pr2 1 0.36693700 0.36693700 0.65133600 1.0 Pr Pr3 1 0.63306300 0.63306300 0.34866400 1.0 Tm Tm4 1 0.79763200 0.79763200 0.94177500 1.0 Tm Tm5 1 0.20236800 0.20236800 0.05822500 1.0 Tm Tm6 1 0.46184000 0.46184000 0.72933900 1.0 Tm Tm7 1 0.53816000 0.53816000 0.27066100 1.0 Tm Tm8 1 0.65775800 0.65775800 0.69917500 1.0 Tm Tm9 1 0.34224200 0.34224200 0.30082500 1.0 Tm Tm10 1 0.26341700 0.26341700 0.64824700 1.0 Tm Tm11 1 0.73658300 0.73658300 0.35175300 1.0 Tm Tm12 1 0.06966500 0.06966500 0.63894200 1.0 Tm Tm13 1 0.93033500 0.93033500 0.36105800 1.0 Tm Tm14 1 0.00000000 0.00000000 0.00000000 1.0 S S15 1 0.08721800 0.08721800 0.24686100 1.0 S S16 1 0.91278200 0.91278200 0.75313900 1.0 S S17 1 0.18958800 0.18958800 0.30861900 1.0 S S18 1 0.81041200 0.81041200 0.69138100 1.0 S S19 1 0.28021800 0.28021800 0.41068700 1.0 S S20 1 0.71978200 0.71978200 0.58931300 1.0 S S21 1 0.44485100 0.44485100 0.50639900 1.0 S S22 1 0.55514900 0.55514900 0.49360100 1.0 S S23 1 0.13490800 0.13490800 0.54803000 1.0 S S24 1 0.86509200 0.86509200 0.45197000 1.0 S S25 1 0.59282500 0.59282500 0.78633000 1.0 S S26 1 0.40717500 0.40717500 0.21367000 1.0 S S27 1 0.45342000 0.45342000 0.96910300 1.0 S S28 1 0.54658000 0.54658000 0.03089700 1.0 S S29 1 0.34989500 0.34989500 0.90801900 1.0 S S30 1 0.65010500 0.65010500 0.09198100 1.0 S S31 1 0.16898300 0.16898300 0.84813800 1.0 S S32 1 0.83101700 0.83101700 0.15186200 1.0 S S33 1 0.00784600 0.00784600 0.76006500 1.0 S S34 1 0.99215400 0.99215400 0.23993500 1.0 S S35 1 0.25504000 0.25504000 0.88094000 1.0 S S36 1 0.74496000 0.74496000 0.11906000 1.0