# generated using pymatgen data_Na2VCuF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29970100 _cell_length_b 7.63846900 _cell_length_c 10.51504600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2VCuF7 _chemical_formula_sum 'Na8 V4 Cu4 F28' _cell_volume 586.30361087 _cell_formula_units_Z 4 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 Na Na0 1 0.00000000 0.50000000 0.00000000 1.0 Na Na1 1 0.50000000 0.50000000 0.00000000 1.0 Na Na2 1 0.00000000 0.00000000 0.50000000 1.0 Na Na3 1 0.50000000 0.00000000 0.50000000 1.0 Na Na4 1 0.25000000 0.22292500 0.76066400 1.0 Na Na5 1 0.75000000 0.77707500 0.23933600 1.0 Na Na6 1 0.75000000 0.72292500 0.73933600 1.0 Na Na7 1 0.25000000 0.27707500 0.26066400 1.0 V V8 1 0.25000000 0.72630800 0.76164000 1.0 V V9 1 0.75000000 0.27369200 0.23836000 1.0 V V10 1 0.75000000 0.22630800 0.73836000 1.0 V V11 1 0.25000000 0.77369200 0.26164000 1.0 Cu Cu12 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu13 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu14 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu15 1 0.50000000 0.50000000 0.50000000 1.0 F F16 1 0.25000000 0.08518900 0.99027300 1.0 F F17 1 0.75000000 0.91481100 0.00972700 1.0 F F18 1 0.75000000 0.58518900 0.50972700 1.0 F F19 1 0.25000000 0.41481100 0.49027300 1.0 F F20 1 0.25000000 0.95448300 0.67041900 1.0 F F21 1 0.75000000 0.04551700 0.32958100 1.0 F F22 1 0.75000000 0.45448300 0.82958100 1.0 F F23 1 0.25000000 0.54551700 0.17041900 1.0 F F24 1 0.25000000 0.49286800 0.84741600 1.0 F F25 1 0.75000000 0.50713200 0.15258400 1.0 F F26 1 0.75000000 0.99286800 0.65258400 1.0 F F27 1 0.25000000 0.00713200 0.34741600 1.0 F F28 1 0.95204100 0.16451200 0.85257400 1.0 F F29 1 0.45204100 0.83548800 0.14742600 1.0 F F30 1 0.04795900 0.66451200 0.64742600 1.0 F F31 1 0.54795900 0.33548800 0.35257400 1.0 F F32 1 0.04795900 0.83548800 0.14742600 1.0 F F33 1 0.54795900 0.16451200 0.85257400 1.0 F F34 1 0.95204100 0.33548800 0.35257400 1.0 F F35 1 0.45204100 0.66451200 0.64742600 1.0 F F36 1 0.05030800 0.77923100 0.88109800 1.0 F F37 1 0.55030800 0.22076900 0.11890200 1.0 F F38 1 0.94969200 0.27923100 0.61890200 1.0 F F39 1 0.44969200 0.72076900 0.38109800 1.0 F F40 1 0.94969200 0.22076900 0.11890200 1.0 F F41 1 0.44969200 0.77923100 0.88109800 1.0 F F42 1 0.05030800 0.72076900 0.38109800 1.0 F F43 1 0.55030800 0.27923100 0.61890200 1.0