# generated using pymatgen data_Mg6NiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66877000 _cell_length_b 7.50160400 _cell_length_c 10.47064600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NiC _chemical_formula_sum 'Mg12 Ni2 C2' _cell_volume 288.16955613 _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 0.00000000 0.67826100 0.10893600 1.0 Mg Mg1 1 0.00000000 0.32173900 0.10893600 1.0 Mg Mg2 1 0.00000000 0.50000000 0.84811000 1.0 Mg Mg3 1 0.50000000 0.81766100 0.84077800 1.0 Mg Mg4 1 0.50000000 0.18233900 0.84077800 1.0 Mg Mg5 1 0.50000000 0.50000000 0.62617400 1.0 Mg Mg6 1 0.00000000 0.17826100 0.60893600 1.0 Mg Mg7 1 0.00000000 0.82173900 0.60893600 1.0 Mg Mg8 1 0.00000000 0.00000000 0.34811000 1.0 Mg Mg9 1 0.50000000 0.31766100 0.34077800 1.0 Mg Mg10 1 0.50000000 0.68233900 0.34077800 1.0 Mg Mg11 1 0.50000000 0.00000000 0.12617400 1.0 Ni Ni12 1 0.00000000 0.50000000 0.46673400 1.0 Ni Ni13 1 0.00000000 0.00000000 0.96673400 1.0 C C14 1 0.50000000 0.50000000 0.15955600 1.0 C C15 1 0.50000000 0.00000000 0.65955600 1.0