# generated using pymatgen data_Ca11(VN5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.20307600 _cell_length_b 15.20307600 _cell_length_c 3.59068000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11(VN5)2 _chemical_formula_sum 'Ca22 V4 N20' _cell_volume 829.92650710 _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 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca2 1 0.97217500 0.80284700 0.50000000 1.0 Ca Ca3 1 0.02782500 0.19715300 0.50000000 1.0 Ca Ca4 1 0.52782500 0.30284700 0.00000000 1.0 Ca Ca5 1 0.47217500 0.69715300 0.00000000 1.0 Ca Ca6 1 0.80284700 0.97217500 0.50000000 1.0 Ca Ca7 1 0.19715300 0.02782500 0.50000000 1.0 Ca Ca8 1 0.30284700 0.52782500 0.00000000 1.0 Ca Ca9 1 0.69715300 0.47217500 0.00000000 1.0 Ca Ca10 1 0.65605500 0.65605500 0.50000000 1.0 Ca Ca11 1 0.34394500 0.34394500 0.50000000 1.0 Ca Ca12 1 0.84394500 0.15605500 0.00000000 1.0 Ca Ca13 1 0.15605500 0.84394500 0.00000000 1.0 Ca Ca14 1 0.36998500 0.90696800 0.50000000 1.0 Ca Ca15 1 0.63001500 0.09303200 0.50000000 1.0 Ca Ca16 1 0.13001500 0.40696800 0.00000000 1.0 Ca Ca17 1 0.86998500 0.59303200 0.00000000 1.0 Ca Ca18 1 0.90696800 0.36998500 0.50000000 1.0 Ca Ca19 1 0.09303200 0.63001500 0.50000000 1.0 Ca Ca20 1 0.40696800 0.13001500 0.00000000 1.0 Ca Ca21 1 0.59303200 0.86998500 0.00000000 1.0 V V22 1 0.30306400 0.69693600 0.50000000 1.0 V V23 1 0.69693600 0.30306400 0.50000000 1.0 V V24 1 0.19693600 0.19693600 0.00000000 1.0 V V25 1 0.80306400 0.80306400 0.00000000 1.0 N N26 1 0.08083400 0.91916600 0.50000000 1.0 N N27 1 0.91916600 0.08083400 0.50000000 1.0 N N28 1 0.41916600 0.41916600 0.00000000 1.0 N N29 1 0.58083400 0.58083400 0.00000000 1.0 N N30 1 0.49800100 0.18736100 0.50000000 1.0 N N31 1 0.50199900 0.81263900 0.50000000 1.0 N N32 1 0.00199900 0.68736100 0.00000000 1.0 N N33 1 0.99800100 0.31263900 0.00000000 1.0 N N34 1 0.18736100 0.49800100 0.50000000 1.0 N N35 1 0.81263900 0.50199900 0.50000000 1.0 N N36 1 0.68736100 0.00199900 0.00000000 1.0 N N37 1 0.31263900 0.99800100 0.00000000 1.0 N N38 1 0.22114000 0.77886000 0.50000000 1.0 N N39 1 0.77886000 0.22114000 0.50000000 1.0 N N40 1 0.27886000 0.27886000 0.00000000 1.0 N N41 1 0.72114000 0.72114000 0.00000000 1.0 N N42 1 0.38609100 0.61390900 0.50000000 1.0 N N43 1 0.61390900 0.38609100 0.50000000 1.0 N N44 1 0.11390900 0.11390900 0.00000000 1.0 N N45 1 0.88609100 0.88609100 0.00000000 1.0