# generated using pymatgen data_Ba6Mg23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.74371109 _cell_length_b 10.74371125 _cell_length_c 10.74371024 _cell_angle_alpha 60.00000312 _cell_angle_beta 60.00000262 _cell_angle_gamma 60.00000223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Mg23 _chemical_formula_sum 'Ba6 Mg23' _cell_volume 876.89574750 _cell_formula_units_Z 1 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 0.78918471 0.21081529 0.78918471 1.0 Ba Ba1 1 0.78918471 0.78918471 0.21081529 1.0 Ba Ba2 1 0.78918471 0.21081529 0.21081529 1.0 Ba Ba3 1 0.21081529 0.21081529 0.78918471 1.0 Ba Ba4 1 0.21081529 0.78918471 0.78918471 1.0 Ba Ba5 1 0.21081529 0.78918471 0.21081529 1.0 Mg Mg6 1 0.37696014 0.86911858 0.37696014 1.0 Mg Mg7 1 0.82252426 0.82252426 0.82252426 1.0 Mg Mg8 1 -0.00000000 0.00000000 0.50000000 1.0 Mg Mg9 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg10 1 0.17747574 0.46757278 0.17747574 1.0 Mg Mg11 1 0.17747574 0.17747574 0.46757278 1.0 Mg Mg12 1 0.82252426 0.82252426 0.53242722 1.0 Mg Mg13 1 0.37696014 0.37696014 0.86911858 1.0 Mg Mg14 1 0.62303886 0.62303886 0.62303886 1.0 Mg Mg15 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg16 1 0.86911858 0.37696014 0.37696014 1.0 Mg Mg17 1 0.13088042 0.62303886 0.62303886 1.0 Mg Mg18 1 0.17747574 0.17747574 0.17747574 1.0 Mg Mg19 1 0.82252426 0.53242722 0.82252426 1.0 Mg Mg20 1 0.53242722 0.82252426 0.82252426 1.0 Mg Mg21 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg22 1 0.37696014 0.37696014 0.37696014 1.0 Mg Mg23 1 0.62303886 0.13088042 0.62303886 1.0 Mg Mg24 1 0.62303886 0.62303886 0.13088042 1.0 Mg Mg25 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg26 1 0.46757278 0.17747574 0.17747574 1.0 Mg Mg27 1 -0.00000000 0.50000000 0.00000000 1.0 Mg Mg28 1 -0.00000000 0.50000000 0.50000000 1.0