# generated using pymatgen data_BaMg6Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95048000 _cell_length_b 6.08745900 _cell_length_c 14.27059600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Si _chemical_formula_sum 'Ba2 Mg12 Si2' _cell_volume 430.05645528 _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 0.20217800 1.0 Ba Ba1 1 0.50000000 0.00000000 0.70217800 1.0 Mg Mg2 1 0.50000000 0.24240600 0.43837700 1.0 Mg Mg3 1 0.50000000 0.75759400 0.43837700 1.0 Mg Mg4 1 0.00000000 0.75529000 0.07297000 1.0 Mg Mg5 1 0.00000000 0.24471000 0.07297000 1.0 Mg Mg6 1 0.00000000 0.00000000 0.30312900 1.0 Mg Mg7 1 0.00000000 0.50000000 0.37096000 1.0 Mg Mg8 1 0.50000000 0.74240600 0.93837700 1.0 Mg Mg9 1 0.50000000 0.25759400 0.93837700 1.0 Mg Mg10 1 0.00000000 0.25529000 0.57297000 1.0 Mg Mg11 1 0.00000000 0.74471000 0.57297000 1.0 Mg Mg12 1 0.00000000 0.50000000 0.80312900 1.0 Mg Mg13 1 0.00000000 0.00000000 0.87096000 1.0 Si Si14 1 0.50000000 0.00000000 0.10103500 1.0 Si Si15 1 0.50000000 0.50000000 0.60103500 1.0