# generated using pymatgen data_LiMg6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41681834 _cell_length_b 6.70284628 _cell_length_c 10.68705956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg6C _chemical_formula_sum 'Li2 Mg12 C2' _cell_volume 316.39311684 _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 Li Li0 1 0.50000000 0.00000000 0.84203745 1.0 Li Li1 1 0.50000000 0.50000000 0.34203745 1.0 Mg Mg2 1 0.50000000 0.26083742 0.61456221 1.0 Mg Mg3 1 0.50000000 0.73916258 0.61456221 1.0 Mg Mg4 1 0.00000000 0.23639623 0.40982457 1.0 Mg Mg5 1 -0.00000000 0.76360377 0.40982457 1.0 Mg Mg6 1 -0.00000000 0.00000000 0.66454987 1.0 Mg Mg7 1 0.00000000 0.00000000 0.18135010 1.0 Mg Mg8 1 0.50000000 0.76083742 0.11456221 1.0 Mg Mg9 1 0.50000000 0.23916258 0.11456221 1.0 Mg Mg10 1 0.00000000 0.73639623 0.90982457 1.0 Mg Mg11 1 -0.00000000 0.26360377 0.90982457 1.0 Mg Mg12 1 -0.00000000 0.50000000 0.16454987 1.0 Mg Mg13 1 0.00000000 0.50000000 0.68135010 1.0 C C14 1 0.50000000 0.00000000 0.26329302 1.0 C C15 1 0.50000000 0.50000000 0.76329302 1.0