# generated using pymatgen data_CsCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25913700 _cell_length_b 7.10481500 _cell_length_c 13.50685600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCaMg6 _chemical_formula_sum 'Cs2 Ca2 Mg12' _cell_volume 504.68631428 _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 Cs Cs0 1 0.50000000 0.50000000 0.18188800 1.0 Cs Cs1 1 0.50000000 0.00000000 0.68188800 1.0 Ca Ca2 1 0.50000000 0.00000000 0.16591300 1.0 Ca Ca3 1 0.50000000 0.50000000 0.66591300 1.0 Mg Mg4 1 0.50000000 0.23881300 0.42339600 1.0 Mg Mg5 1 0.50000000 0.76118700 0.42339600 1.0 Mg Mg6 1 0.00000000 0.76768800 0.04688100 1.0 Mg Mg7 1 0.00000000 0.23231200 0.04688100 1.0 Mg Mg8 1 0.00000000 0.00000000 0.34954200 1.0 Mg Mg9 1 0.00000000 0.50000000 0.36209900 1.0 Mg Mg10 1 0.50000000 0.73881300 0.92339600 1.0 Mg Mg11 1 0.50000000 0.26118700 0.92339600 1.0 Mg Mg12 1 0.00000000 0.26768800 0.54688100 1.0 Mg Mg13 1 0.00000000 0.73231200 0.54688100 1.0 Mg Mg14 1 0.00000000 0.50000000 0.84954200 1.0 Mg Mg15 1 0.00000000 0.00000000 0.86209900 1.0