# generated using pymatgen data_MgZr2(TaOs2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50979817 _cell_length_b 6.38769804 _cell_length_c 13.53404255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00007049 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr2(TaOs2)3 _chemical_formula_sum 'Mg2 Zr4 Ta6 Os12' _cell_volume 389.87826197 _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 Mg Mg0 1 0.00011045 0.00000000 0.66818507 1.0 Mg Mg1 1 0.50011045 0.50000000 0.83181493 1.0 Zr Zr2 1 0.99999397 0.00000000 0.99715393 1.0 Zr Zr3 1 0.49992143 0.50000000 0.16564916 1.0 Zr Zr4 1 0.99991743 0.00000000 0.33435084 1.0 Zr Zr5 1 0.49999397 0.50000000 0.50284607 1.0 Ta Ta6 1 0.99998106 0.50000000 0.99203070 1.0 Ta Ta7 1 0.49991133 0.00000000 0.16551479 1.0 Ta Ta8 1 0.99990933 0.50000000 0.33448221 1.0 Ta Ta9 1 0.49998006 0.00000000 0.50796930 1.0 Ta Ta10 1 0.00009724 0.50000000 0.67296241 1.0 Ta Ta11 1 0.50009824 0.00000000 0.82703959 1.0 Os Os12 1 0.49998897 0.25093974 0.99766385 1.0 Os Os13 1 0.49998897 0.74906026 0.99766385 1.0 Os Os14 1 0.99992175 0.24996328 0.16503511 1.0 Os Os15 1 0.99992175 0.75003672 0.16503511 1.0 Os Os16 1 0.49991975 0.25003672 0.33496789 1.0 Os Os17 1 0.49991975 0.74996328 0.33496789 1.0 Os Os18 1 0.99998797 0.24905926 0.50233715 1.0 Os Os19 1 0.99998797 0.75094174 0.50233715 1.0 Os Os20 1 0.50008554 0.24966483 0.66747908 1.0 Os Os21 1 0.50008554 0.75033517 0.66747908 1.0 Os Os22 1 0.00008454 0.25033617 0.83251792 1.0 Os Os23 1 0.00008454 0.74966383 0.83251792 1.0