# generated using pymatgen data_CaMg6Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89185200 _cell_length_b 6.25237600 _cell_length_c 11.78144300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Ni _chemical_formula_sum 'Ca2 Mg12 Ni2' _cell_volume 360.34365808 _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 Ca Ca0 1 0.00000000 0.50000000 0.30665600 1.0 Ca Ca1 1 0.00000000 0.00000000 0.80665600 1.0 Mg Mg2 1 0.00000000 0.25744800 0.07829700 1.0 Mg Mg3 1 0.00000000 0.74255200 0.07829700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.34114500 1.0 Mg Mg5 1 0.50000000 0.75950200 0.44038100 1.0 Mg Mg6 1 0.50000000 0.24049800 0.44038100 1.0 Mg Mg7 1 0.50000000 0.00000000 0.18136400 1.0 Mg Mg8 1 0.00000000 0.75744800 0.57829700 1.0 Mg Mg9 1 0.00000000 0.24255200 0.57829700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.84114500 1.0 Mg Mg11 1 0.50000000 0.25950200 0.94038100 1.0 Mg Mg12 1 0.50000000 0.74049800 0.94038100 1.0 Mg Mg13 1 0.50000000 0.50000000 0.68136400 1.0 Ni Ni14 1 0.50000000 0.50000000 0.13347800 1.0 Ni Ni15 1 0.50000000 0.00000000 0.63347800 1.0