# generated using pymatgen data_Mg6ZrV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05064900 _cell_length_b 6.21717100 _cell_length_c 11.01736300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrV _chemical_formula_sum 'Mg12 Zr2 V2' _cell_volume 345.95344463 _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 0.50000000 0.24664500 0.41774500 1.0 Mg Mg1 1 0.50000000 0.75335500 0.41774500 1.0 Mg Mg2 1 0.00000000 0.74414300 0.08820800 1.0 Mg Mg3 1 0.00000000 0.25585700 0.08820800 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32987600 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32558900 1.0 Mg Mg6 1 0.50000000 0.74664500 0.91774500 1.0 Mg Mg7 1 0.50000000 0.25335500 0.91774500 1.0 Mg Mg8 1 0.00000000 0.24414300 0.58820800 1.0 Mg Mg9 1 0.00000000 0.75585700 0.58820800 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82987600 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82558900 1.0 Zr Zr12 1 0.50000000 0.00000000 0.16674800 1.0 Zr Zr13 1 0.50000000 0.50000000 0.66674800 1.0 V V14 1 0.50000000 0.50000000 0.16587700 1.0 V V15 1 0.50000000 0.00000000 0.66587700 1.0