# generated using pymatgen data_CsCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54532600 _cell_length_b 7.12642200 _cell_length_c 12.41809600 _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 490.74245548 _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 0.16062200 1.0 Cs Cs1 1 0.50000000 0.00000000 0.66062200 1.0 Ca Ca2 1 0.00000000 0.50000000 0.34525100 1.0 Ca Ca3 1 0.00000000 0.00000000 0.84525100 1.0 Mg Mg4 1 0.00000000 0.77815800 0.08045100 1.0 Mg Mg5 1 0.00000000 0.22184200 0.08045100 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33275000 1.0 Mg Mg7 1 0.50000000 0.24768700 0.41704800 1.0 Mg Mg8 1 0.50000000 0.75231300 0.41704800 1.0 Mg Mg9 1 0.50000000 0.00000000 0.16637800 1.0 Mg Mg10 1 0.00000000 0.27815800 0.58045100 1.0 Mg Mg11 1 0.00000000 0.72184200 0.58045100 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83275000 1.0 Mg Mg13 1 0.50000000 0.74768700 0.91704800 1.0 Mg Mg14 1 0.50000000 0.25231300 0.91704800 1.0 Mg Mg15 1 0.50000000 0.50000000 0.66637800 1.0