# generated using pymatgen data_Nd5Th3(CdTc)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.86143095 _cell_length_b 9.94408396 _cell_length_c 9.94408438 _cell_angle_alpha 59.45085667 _cell_angle_beta 60.27457644 _cell_angle_gamma 60.27457611 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Th3(CdTc)2 _chemical_formula_sum 'Nd10 Th6 Cd4 Tc4' _cell_volume 689.43771367 _cell_formula_units_Z 2 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 Nd Nd0 1 0.44301458 0.05698542 0.44301458 1.0 Nd Nd1 1 0.05698542 0.44301458 0.05698542 1.0 Nd Nd2 1 0.44301458 0.44301458 0.05698542 1.0 Nd Nd3 1 0.05698542 0.05698542 0.44301458 1.0 Nd Nd4 1 0.18906001 0.81093999 0.81093999 1.0 Nd Nd5 1 0.81093999 0.18906001 0.18906001 1.0 Nd Nd6 1 0.80933081 0.19066919 0.80933081 1.0 Nd Nd7 1 0.19066919 0.80933081 0.19066919 1.0 Nd Nd8 1 0.80933081 0.80933081 0.19066919 1.0 Nd Nd9 1 0.19066919 0.19066919 0.80933081 1.0 Th Th10 1 0.59666600 0.59494475 0.59494475 1.0 Th Th11 1 0.59494475 0.59666600 0.21344450 1.0 Th Th12 1 0.59494475 0.21344450 0.59666600 1.0 Th Th13 1 0.21344450 0.59494475 0.59494475 1.0 Th Th14 1 0.06184342 0.43815658 0.43815658 1.0 Th Th15 1 0.43815658 0.06184342 0.06184342 1.0 Cd Cd16 1 0.83004103 0.82819250 0.82819250 1.0 Cd Cd17 1 0.82819250 0.83004103 0.51357398 1.0 Cd Cd18 1 0.82819250 0.51357398 0.83004103 1.0 Cd Cd19 1 0.51357398 0.82819250 0.82819250 1.0 Tc Tc20 1 0.36724638 0.40066848 0.40066848 1.0 Tc Tc21 1 0.40066848 0.36724638 0.83141566 1.0 Tc Tc22 1 0.40066848 0.83141566 0.36724638 1.0 Tc Tc23 1 0.83141566 0.40066848 0.40066848 1.0