# generated using pymatgen data_Th(Fe2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71712300 _cell_length_b 10.73029900 _cell_length_c 14.25628000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th(Fe2P)2 _chemical_formula_sum 'Th6 Fe24 P12' _cell_volume 568.62372032 _cell_formula_units_Z 6 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 Th Th0 1 0.50000000 0.37678900 0.22589100 1.0 Th Th1 1 0.50000000 0.62321100 0.77410900 1.0 Th Th2 1 0.00000000 0.87678900 0.27410900 1.0 Th Th3 1 0.00000000 0.12321100 0.72589100 1.0 Th Th4 1 0.50000000 0.50000000 0.50000000 1.0 Th Th5 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe6 1 0.00000000 0.07773900 0.44509800 1.0 Fe Fe7 1 0.50000000 0.57773900 0.05490200 1.0 Fe Fe8 1 0.00000000 0.59331600 0.94676200 1.0 Fe Fe9 1 0.00000000 0.40668400 0.05323800 1.0 Fe Fe10 1 0.50000000 0.09331600 0.55323800 1.0 Fe Fe11 1 0.50000000 0.42226100 0.94509800 1.0 Fe Fe12 1 0.00000000 0.26130200 0.53667300 1.0 Fe Fe13 1 0.00000000 0.73869800 0.46332700 1.0 Fe Fe14 1 0.50000000 0.76130200 0.96332700 1.0 Fe Fe15 1 0.50000000 0.23869800 0.03667300 1.0 Fe Fe16 1 0.00000000 0.43083700 0.67397800 1.0 Fe Fe17 1 0.00000000 0.56916300 0.32602200 1.0 Fe Fe18 1 0.50000000 0.93083700 0.82602200 1.0 Fe Fe19 1 0.50000000 0.06916300 0.17397800 1.0 Fe Fe20 1 0.00000000 0.82268300 0.71088800 1.0 Fe Fe21 1 0.00000000 0.17731700 0.28911200 1.0 Fe Fe22 1 0.50000000 0.32268300 0.78911200 1.0 Fe Fe23 1 0.50000000 0.67731700 0.21088800 1.0 Fe Fe24 1 0.50000000 0.23546100 0.42104700 1.0 Fe Fe25 1 0.50000000 0.76453900 0.57895300 1.0 Fe Fe26 1 0.00000000 0.73546100 0.07895300 1.0 Fe Fe27 1 0.00000000 0.26453900 0.92104700 1.0 Fe Fe28 1 0.50000000 0.90668400 0.44676200 1.0 Fe Fe29 1 0.00000000 0.92226100 0.55490200 1.0 P P30 1 0.50000000 0.84984000 0.11427100 1.0 P P31 1 0.50000000 0.15016000 0.88572900 1.0 P P32 1 0.00000000 0.34984000 0.38572900 1.0 P P33 1 0.00000000 0.65016000 0.61427100 1.0 P P34 1 0.50000000 0.70414600 0.36808300 1.0 P P35 1 0.50000000 0.29585400 0.63191700 1.0 P P36 1 0.50000000 0.07006400 0.33504000 1.0 P P37 1 0.50000000 0.92993600 0.66496000 1.0 P P38 1 0.00000000 0.57006400 0.16496000 1.0 P P39 1 0.00000000 0.42993600 0.83504000 1.0 P P40 1 0.00000000 0.20414600 0.13191700 1.0 P P41 1 0.00000000 0.79585400 0.86808300 1.0