# generated using pymatgen data_Tm2CrS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41091700 _cell_length_b 12.50779000 _cell_length_c 12.38398700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2CrS4 _chemical_formula_sum 'Tm16 Cr8 S32' _cell_volume 1147.92368782 _cell_formula_units_Z 8 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 Tm Tm0 1 0.88369300 0.56469000 0.12698600 1.0 Tm Tm1 1 0.11630700 0.06469000 0.87301400 1.0 Tm Tm2 1 0.88369300 0.06469000 0.37301400 1.0 Tm Tm3 1 0.11630700 0.56469000 0.62698600 1.0 Tm Tm4 1 0.87108700 0.73404200 0.86590400 1.0 Tm Tm5 1 0.12891300 0.23404200 0.13409600 1.0 Tm Tm6 1 0.87108700 0.23404200 0.63409600 1.0 Tm Tm7 1 0.12891300 0.73404200 0.36590400 1.0 Tm Tm8 1 0.38288500 0.92513300 0.10965600 1.0 Tm Tm9 1 0.61711500 0.42513300 0.89034400 1.0 Tm Tm10 1 0.38288500 0.42513300 0.39034400 1.0 Tm Tm11 1 0.61711500 0.92513300 0.60965600 1.0 Tm Tm12 1 0.36998800 0.72961000 0.86638700 1.0 Tm Tm13 1 0.63001200 0.22961000 0.13361300 1.0 Tm Tm14 1 0.36998800 0.22961000 0.63361300 1.0 Tm Tm15 1 0.63001200 0.72961000 0.36638700 1.0 Cr Cr16 1 0.87419000 0.93075100 0.10831000 1.0 Cr Cr17 1 0.12581000 0.43075100 0.89169000 1.0 Cr Cr18 1 0.87419000 0.43075100 0.39169000 1.0 Cr Cr19 1 0.12581000 0.93075100 0.60831000 1.0 Cr Cr20 1 0.38167300 0.56177500 0.12431500 1.0 Cr Cr21 1 0.61832700 0.06177500 0.87568500 1.0 Cr Cr22 1 0.38167300 0.06177500 0.37568500 1.0 Cr Cr23 1 0.61832700 0.56177500 0.62431500 1.0 S S24 1 0.62256700 0.87879800 0.95343300 1.0 S S25 1 0.37743300 0.37879800 0.04656700 1.0 S S26 1 0.62256700 0.37879800 0.54656700 1.0 S S27 1 0.37743300 0.87879800 0.45343300 1.0 S S28 1 0.62020900 0.61729800 0.98849200 1.0 S S29 1 0.37979100 0.11729800 0.01150800 1.0 S S30 1 0.62020900 0.11729800 0.51150800 1.0 S S31 1 0.37979100 0.61729800 0.48849200 1.0 S S32 1 0.87848100 0.76123500 0.21117200 1.0 S S33 1 0.12151900 0.26123500 0.78882800 1.0 S S34 1 0.87848100 0.26123500 0.28882800 1.0 S S35 1 0.12151900 0.76123500 0.71117200 1.0 S S36 1 0.85836400 0.51263100 0.76026300 1.0 S S37 1 0.14163600 0.01263100 0.23973700 1.0 S S38 1 0.85836400 0.01263100 0.73973700 1.0 S S39 1 0.14163600 0.51263100 0.26026300 1.0 S S40 1 0.11630600 0.86974300 0.97180800 1.0 S S41 1 0.88369400 0.36974300 0.02819200 1.0 S S42 1 0.11630600 0.36974300 0.52819200 1.0 S S43 1 0.88369400 0.86974300 0.47180800 1.0 S S44 1 0.12457400 0.60670200 0.97369000 1.0 S S45 1 0.87542600 0.10670200 0.02631000 1.0 S S46 1 0.12457400 0.10670200 0.52631000 1.0 S S47 1 0.87542600 0.60670200 0.47369000 1.0 S S48 1 0.38025300 0.73695400 0.20995500 1.0 S S49 1 0.61974700 0.23695400 0.79004500 1.0 S S50 1 0.38025300 0.23695400 0.29004500 1.0 S S51 1 0.61974700 0.73695400 0.70995500 1.0 S S52 1 0.36405600 0.51363700 0.77038400 1.0 S S53 1 0.63594400 0.01363700 0.22961600 1.0 S S54 1 0.36405600 0.01363700 0.72961600 1.0 S S55 1 0.63594400 0.51363700 0.27038400 1.0