# generated using pymatgen data_BaCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44094300 _cell_length_b 7.23349600 _cell_length_c 12.20081200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaMg6 _chemical_formula_sum 'Ba2 Ca2 Mg12' _cell_volume 480.18783892 _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 0.83495900 1.0 Ba Ba1 1 0.50000000 0.00000000 0.33495900 1.0 Ca Ca2 1 0.50000000 0.50000000 0.33567700 1.0 Ca Ca3 1 0.50000000 0.00000000 0.83567700 1.0 Mg Mg4 1 0.50000000 0.24672000 0.08109200 1.0 Mg Mg5 1 0.50000000 0.75328000 0.08109200 1.0 Mg Mg6 1 0.00000000 0.23692500 0.92980900 1.0 Mg Mg7 1 0.00000000 0.76307500 0.92980900 1.0 Mg Mg8 1 0.00000000 0.50000000 0.15743300 1.0 Mg Mg9 1 0.00000000 0.50000000 0.65013500 1.0 Mg Mg10 1 0.50000000 0.74672000 0.58109200 1.0 Mg Mg11 1 0.50000000 0.25328000 0.58109200 1.0 Mg Mg12 1 0.00000000 0.73692500 0.42980900 1.0 Mg Mg13 1 0.00000000 0.26307500 0.42980900 1.0 Mg Mg14 1 0.00000000 0.00000000 0.65743300 1.0 Mg Mg15 1 0.00000000 0.00000000 0.15013500 1.0