# generated using pymatgen data_NbCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81986683 _cell_length_b 7.81986683 _cell_length_c 7.81986683 _cell_angle_alpha 118.36707152 _cell_angle_beta 118.36707152 _cell_angle_gamma 92.85237793 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2 _chemical_formula_sum 'Nb8 Cr16' _cell_volume 346.01129136 _cell_formula_units_Z 8 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 Nb Nb0 1 0.34070200 0.34070200 0.00000000 1.0 Nb Nb1 1 0.65929800 0.65929800 0.00000000 1.0 Nb Nb2 1 0.55298300 0.05298300 0.10596600 1.0 Nb Nb3 1 0.94701700 0.44701700 0.89403400 1.0 Nb Nb4 1 0.94701700 0.05298300 0.50000000 1.0 Nb Nb5 1 0.55298300 0.44701700 0.50000000 1.0 Nb Nb6 1 0.94042100 0.44042100 0.50000000 1.0 Nb Nb7 1 0.55957900 0.05957900 0.50000000 1.0 Cr Cr8 1 0.12817700 0.37730400 0.24912700 1.0 Cr Cr9 1 0.12095000 0.87182300 0.24912700 1.0 Cr Cr10 1 0.62269600 0.87182300 0.75087300 1.0 Cr Cr11 1 0.12817700 0.87905000 0.75087300 1.0 Cr Cr12 1 0.91534500 0.75655800 0.84121300 1.0 Cr Cr13 1 0.92586800 0.08465500 0.84121300 1.0 Cr Cr14 1 0.24344200 0.08465500 0.15878700 1.0 Cr Cr15 1 0.91534500 0.07413200 0.15878700 1.0 Cr Cr16 1 0.34036100 0.00340600 0.66304600 1.0 Cr Cr17 1 0.32268500 0.65963900 0.66304600 1.0 Cr Cr18 1 0.99659400 0.65963900 0.33695400 1.0 Cr Cr19 1 0.34036100 0.67731500 0.33695400 1.0 Cr Cr20 1 0.70581400 0.70581400 0.41162900 1.0 Cr Cr21 1 0.29418600 0.29418600 0.58837100 1.0 Cr Cr22 1 0.29418600 0.70581400 0.00000000 1.0 Cr Cr23 1 0.70581400 0.29418600 0.00000000 1.0