# generated using pymatgen data_MgNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75394307 _cell_length_b 4.75394389 _cell_length_c 15.64010057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00002744 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi2 _chemical_formula_sum 'Mg8 Ni16' _cell_volume 306.11039709 _cell_formula_units_Z 8 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 0.09291949 1.0 Mg Mg1 1 0.00000000 0.00000000 0.59291949 1.0 Mg Mg2 1 0.00000000 0.00000000 0.90708051 1.0 Mg Mg3 1 0.00000000 0.00000000 0.40707951 1.0 Mg Mg4 1 0.33333300 0.66666700 0.84438062 1.0 Mg Mg5 1 0.66666700 0.33333300 0.34438062 1.0 Mg Mg6 1 0.66666700 0.33333300 0.15561938 1.0 Mg Mg7 1 0.33333300 0.66666700 0.65561938 1.0 Ni Ni8 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni9 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni11 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni12 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni13 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni14 1 0.16427075 0.83572825 0.25000000 1.0 Ni Ni15 1 0.32854450 0.16427075 0.75000000 1.0 Ni Ni16 1 0.83572825 0.67145550 0.75000000 1.0 Ni Ni17 1 0.16427075 0.32854450 0.25000000 1.0 Ni Ni18 1 0.67145550 0.83572825 0.25000000 1.0 Ni Ni19 1 0.83572825 0.16427075 0.75000000 1.0 Ni Ni20 1 0.33333400 0.66666700 0.12540511 1.0 Ni Ni21 1 0.66666600 0.33333300 0.62540511 1.0 Ni Ni22 1 0.66666600 0.33333300 0.87459489 1.0 Ni Ni23 1 0.33333400 0.66666700 0.37459489 1.0