# generated using pymatgen data_Tm2Re3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70023651 _cell_length_b 6.70023651 _cell_length_c 12.65457048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Re3Si4 _chemical_formula_sum 'Tm8 Re12 Si16' _cell_volume 568.10377535 _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 Tm Tm0 1 0.00888184 0.66197126 0.03123079 1.0 Tm Tm1 1 0.99111816 0.33802874 0.53123079 1.0 Tm Tm2 1 0.33802874 0.99111816 0.46876921 1.0 Tm Tm3 1 0.16197126 0.49111816 0.78123079 1.0 Tm Tm4 1 0.83802874 0.50888184 0.28123079 1.0 Tm Tm5 1 0.49111816 0.16197126 0.21876921 1.0 Tm Tm6 1 0.50888184 0.83802874 0.71876921 1.0 Tm Tm7 1 0.66197126 0.00888184 0.96876921 1.0 Re Re8 1 0.66492136 0.66492136 0.50000000 1.0 Re Re9 1 0.16492136 0.83507864 0.25000000 1.0 Re Re10 1 0.33507864 0.33507864 0.00000000 1.0 Re Re11 1 0.01965587 0.81214908 0.63158213 1.0 Re Re12 1 0.98034413 0.18785092 0.13158213 1.0 Re Re13 1 0.81214908 0.01965587 0.36841787 1.0 Re Re14 1 0.31214908 0.48034413 0.38158213 1.0 Re Re15 1 0.68785092 0.51965587 0.88158213 1.0 Re Re16 1 0.48034413 0.31214908 0.61841787 1.0 Re Re17 1 0.51965587 0.68785092 0.11841787 1.0 Re Re18 1 0.18785092 0.98034413 0.86841787 1.0 Re Re19 1 0.83507864 0.16492136 0.75000000 1.0 Si Si20 1 0.01959407 0.72548845 0.43922273 1.0 Si Si21 1 0.61420613 0.30415276 0.43366929 1.0 Si Si22 1 0.38579387 0.69584724 0.93366929 1.0 Si Si23 1 0.19584724 0.11420613 0.68366929 1.0 Si Si24 1 0.30415276 0.61420613 0.56633071 1.0 Si Si25 1 0.69584724 0.38579387 0.06633071 1.0 Si Si26 1 0.80415276 0.88579387 0.18366929 1.0 Si Si27 1 0.11420613 0.19584724 0.31633071 1.0 Si Si28 1 0.98040593 0.27451155 0.93922273 1.0 Si Si29 1 0.72548845 0.01959407 0.56077727 1.0 Si Si30 1 0.22548845 0.48040593 0.18922273 1.0 Si Si31 1 0.77451155 0.51959407 0.68922273 1.0 Si Si32 1 0.48040593 0.22548845 0.81077727 1.0 Si Si33 1 0.51959407 0.77451155 0.31077727 1.0 Si Si34 1 0.27451155 0.98040593 0.06077727 1.0 Si Si35 1 0.88579387 0.80415276 0.81633071 1.0