# generated using pymatgen data_KCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50074600 _cell_length_b 6.88633700 _cell_length_c 12.06657600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaMg6 _chemical_formula_sum 'K2 Ca2 Mg12' _cell_volume 457.08178675 _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 K K0 1 0.50000000 0.50000000 0.16197300 1.0 K K1 1 0.50000000 0.00000000 0.66197300 1.0 Ca Ca2 1 0.00000000 0.50000000 0.34020800 1.0 Ca Ca3 1 0.00000000 0.00000000 0.84020800 1.0 Mg Mg4 1 0.00000000 0.75747100 0.08083900 1.0 Mg Mg5 1 0.00000000 0.24252900 0.08083900 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33373700 1.0 Mg Mg7 1 0.50000000 0.24780800 0.41779900 1.0 Mg Mg8 1 0.50000000 0.75219200 0.41779900 1.0 Mg Mg9 1 0.50000000 0.00000000 0.16680600 1.0 Mg Mg10 1 0.00000000 0.25747100 0.58083900 1.0 Mg Mg11 1 0.00000000 0.74252900 0.58083900 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83373700 1.0 Mg Mg13 1 0.50000000 0.74780800 0.91779900 1.0 Mg Mg14 1 0.50000000 0.25219200 0.91779900 1.0 Mg Mg15 1 0.50000000 0.50000000 0.66680600 1.0