# generated using pymatgen data_Ba(MgSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92195755 _cell_length_b 4.92195755 _cell_length_c 24.33244324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(MgSn)2 _chemical_formula_sum 'Ba4 Mg8 Sn8' _cell_volume 589.46964591 _cell_formula_units_Z 4 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 0.00000000 0.50000000 0.37901671 1.0 Ba Ba1 1 0.50000000 0.00000000 0.62098329 1.0 Ba Ba2 1 -0.00000000 0.50000000 0.87149237 1.0 Ba Ba3 1 0.50000000 0.00000000 0.12850763 1.0 Mg Mg4 1 -0.00000000 -0.00000000 0.74829369 1.0 Mg Mg5 1 0.50000000 0.50000000 0.74829369 1.0 Mg Mg6 1 0.00000000 -0.00000000 0.25170631 1.0 Mg Mg7 1 0.50000000 0.50000000 0.25170631 1.0 Mg Mg8 1 0.50000000 0.50000000 -0.00000000 1.0 Mg Mg9 1 0.00000000 -0.00000000 -0.00000000 1.0 Mg Mg10 1 0.50000000 -0.00000000 0.43436220 1.0 Mg Mg11 1 0.00000000 0.50000000 0.56563780 1.0 Sn Sn12 1 0.50000000 0.00000000 0.31778551 1.0 Sn Sn13 1 -0.00000000 0.50000000 0.68221449 1.0 Sn Sn14 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn15 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn16 1 0.50000000 -0.00000000 0.81509069 1.0 Sn Sn17 1 -0.00000000 0.50000000 0.18490931 1.0 Sn Sn18 1 0.50000000 -0.00000000 0.93416150 1.0 Sn Sn19 1 0.00000000 0.50000000 0.06583850 1.0