# generated using pymatgen data_V22NiC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73501189 _cell_length_b 7.73501162 _cell_length_c 7.73501288 _cell_angle_alpha 59.99999887 _cell_angle_beta 60.00000003 _cell_angle_gamma 59.99999395 _symmetry_Int_Tables_number 1 _chemical_formula_structural V22NiC6 _chemical_formula_sum 'V22 Ni1 C6' _cell_volume 327.24119978 _cell_formula_units_Z 1 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 V V0 1 0.75000000 0.75000000 0.75000000 1.0 V V1 1 0.25000000 0.25000000 0.25000000 1.0 V V2 1 0.61534695 0.61534695 0.15395914 1.0 V V3 1 0.61534695 0.15395914 0.61534695 1.0 V V4 1 0.15395914 0.61534695 0.61534695 1.0 V V5 1 0.61534695 0.61534695 0.61534695 1.0 V V6 1 0.38465305 0.38465305 0.84604086 1.0 V V7 1 0.38465305 0.84604086 0.38465305 1.0 V V8 1 0.84604086 0.38465305 0.38465305 1.0 V V9 1 0.38465305 0.38465305 0.38465305 1.0 V V10 1 0.00000000 0.00000000 0.33890036 1.0 V V11 1 0.66109964 0.00000000 0.33890036 1.0 V V12 1 0.00000000 0.66109964 0.33890036 1.0 V V13 1 0.66109964 0.33890036 1.00000000 1.0 V V14 1 1.00000000 0.33890036 1.00000000 1.0 V V15 1 1.00000000 0.33890036 0.66109964 1.0 V V16 1 0.33890036 0.66109964 0.00000000 1.0 V V17 1 0.33890036 1.00000000 0.66109964 1.0 V V18 1 0.33890036 1.00000000 1.00000000 1.0 V V19 1 1.00000000 1.00000000 0.66109964 1.0 V V20 1 0.00000000 0.66109964 0.00000000 1.0 V V21 1 0.66109964 0.00000000 0.00000000 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 C C23 1 0.72476687 0.72476687 0.27523313 1.0 C C24 1 0.27523313 0.72476687 0.27523313 1.0 C C25 1 0.72476687 0.27523313 0.27523313 1.0 C C26 1 0.27523313 0.27523313 0.72476687 1.0 C C27 1 0.72476687 0.27523313 0.72476687 1.0 C C28 1 0.27523313 0.72476687 0.72476687 1.0