# generated using pymatgen data_MgTc20(B3Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05181529 _cell_length_b 8.05181543 _cell_length_c 8.05181447 _cell_angle_alpha 59.99999993 _cell_angle_beta 59.99999933 _cell_angle_gamma 60.00000015 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc20(B3Mo)2 _chemical_formula_sum 'Mg1 Tc20 B6 Mo2' _cell_volume 369.11897743 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc1 1 0.61975989 0.61975989 0.14071833 1.0 Tc Tc2 1 0.61975989 0.14071833 0.61975989 1.0 Tc Tc3 1 0.14071833 0.61975989 0.61975989 1.0 Tc Tc4 1 0.61975989 0.61975989 0.61975989 1.0 Tc Tc5 1 0.38024011 0.38024011 0.85928167 1.0 Tc Tc6 1 0.38024011 0.85928167 0.38024011 1.0 Tc Tc7 1 0.85928167 0.38024011 0.38024011 1.0 Tc Tc8 1 0.38024011 0.38024011 0.38024011 1.0 Tc Tc9 1 1.00000000 1.00000000 0.34202284 1.0 Tc Tc10 1 0.65797716 1.00000000 0.34202284 1.0 Tc Tc11 1 1.00000000 0.65797716 0.34202284 1.0 Tc Tc12 1 0.65797716 0.34202284 0.00000000 1.0 Tc Tc13 1 1.00000000 0.34202284 0.00000000 1.0 Tc Tc14 1 0.00000000 0.34202284 0.65797716 1.0 Tc Tc15 1 0.34202284 0.65797716 1.00000000 1.0 Tc Tc16 1 0.34202284 0.00000000 0.65797716 1.0 Tc Tc17 1 0.34202284 1.00000000 0.00000000 1.0 Tc Tc18 1 0.00000000 0.00000000 0.65797716 1.0 Tc Tc19 1 0.00000000 0.65797716 1.00000000 1.0 Tc Tc20 1 0.65797716 0.00000000 1.00000000 1.0 B B21 1 0.72222474 0.72222474 0.27777526 1.0 B B22 1 0.27777526 0.72222474 0.27777526 1.0 B B23 1 0.72222474 0.27777526 0.27777526 1.0 B B24 1 0.27777526 0.27777526 0.72222474 1.0 B B25 1 0.72222474 0.27777526 0.72222474 1.0 B B26 1 0.27777526 0.72222474 0.72222474 1.0 Mo Mo27 1 0.75000000 0.75000000 0.75000000 1.0 Mo Mo28 1 0.25000000 0.25000000 0.25000000 1.0