# generated using pymatgen data_BaMg6Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00208800 _cell_length_b 6.02448800 _cell_length_c 13.68925300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Ni _chemical_formula_sum 'Ba2 Mg12 Ni2' _cell_volume 412.52590104 _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 Ba Ba0 1 0.50000000 0.50000000 0.20181300 1.0 Ba Ba1 1 0.50000000 0.00000000 0.70181300 1.0 Mg Mg2 1 0.50000000 0.24521400 0.44357600 1.0 Mg Mg3 1 0.50000000 0.75478600 0.44357600 1.0 Mg Mg4 1 0.00000000 0.76405800 0.07529500 1.0 Mg Mg5 1 0.00000000 0.23594200 0.07529500 1.0 Mg Mg6 1 0.00000000 0.00000000 0.29426400 1.0 Mg Mg7 1 0.00000000 0.50000000 0.37105400 1.0 Mg Mg8 1 0.50000000 0.74521400 0.94357600 1.0 Mg Mg9 1 0.50000000 0.25478600 0.94357600 1.0 Mg Mg10 1 0.00000000 0.26405800 0.57529500 1.0 Mg Mg11 1 0.00000000 0.73594200 0.57529500 1.0 Mg Mg12 1 0.00000000 0.50000000 0.79426400 1.0 Mg Mg13 1 0.00000000 0.00000000 0.87105400 1.0 Ni Ni14 1 0.50000000 0.00000000 0.09512300 1.0 Ni Ni15 1 0.50000000 0.50000000 0.59512300 1.0