# generated using pymatgen data_CaMg6V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22392700 _cell_length_b 6.52296900 _cell_length_c 11.19081100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6V _chemical_formula_sum 'Ca2 Mg12 V2' _cell_volume 381.33263555 _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 Ca Ca0 1 0.50000000 0.50000000 0.33456700 1.0 Ca Ca1 1 0.50000000 0.00000000 0.83456700 1.0 Mg Mg2 1 0.50000000 0.74806200 0.08234600 1.0 Mg Mg3 1 0.50000000 0.25193800 0.08234600 1.0 Mg Mg4 1 0.00000000 0.73465100 0.91508500 1.0 Mg Mg5 1 0.00000000 0.26534900 0.91508500 1.0 Mg Mg6 1 0.00000000 0.50000000 0.16270700 1.0 Mg Mg7 1 0.00000000 0.50000000 0.67317100 1.0 Mg Mg8 1 0.50000000 0.24806200 0.58234600 1.0 Mg Mg9 1 0.50000000 0.75193800 0.58234600 1.0 Mg Mg10 1 0.00000000 0.23465100 0.41508500 1.0 Mg Mg11 1 0.00000000 0.76534900 0.41508500 1.0 Mg Mg12 1 0.00000000 0.00000000 0.66270700 1.0 Mg Mg13 1 0.00000000 0.00000000 0.17317100 1.0 V V14 1 0.50000000 0.50000000 0.83469600 1.0 V V15 1 0.50000000 0.00000000 0.33469600 1.0