# generated using pymatgen data_MgTi2(TcP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67662246 _cell_length_b 6.67662188 _cell_length_c 3.27204890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.29073142 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2(TcP)3 _chemical_formula_sum 'Mg1 Ti2 Tc3 P3' _cell_volume 124.64281134 _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 0.39744560 0.39744560 0.50000000 1.0 Ti Ti1 1 0.60217953 0.00769580 0.50000000 1.0 Ti Ti2 1 0.00769580 0.60217953 0.50000000 1.0 Tc Tc3 1 0.99476189 0.25279608 0.00000000 1.0 Tc Tc4 1 0.25279608 0.99476189 0.00000000 1.0 Tc Tc5 1 0.74335403 0.74335403 0.00000000 1.0 P P6 1 0.66939672 0.33486712 0.00000000 1.0 P P7 1 0.33486712 0.66939672 0.00000000 1.0 P P8 1 0.99750423 0.99750423 0.50000000 1.0