# generated using pymatgen data_BeV3GaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41779663 _cell_length_b 6.41779663 _cell_length_c 6.41779663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV3GaN _chemical_formula_sum 'Be4 V12 Ga4 N4' _cell_volume 264.33693619 _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 Be Be0 1 0.17515445 0.82484555 0.32484555 1.0 Be Be1 1 0.32484555 0.17515445 0.82484555 1.0 Be Be2 1 0.82484555 0.32484555 0.17515445 1.0 Be Be3 1 0.67515445 0.67515445 0.67515445 1.0 V V4 1 0.79455857 0.95958330 0.37336668 1.0 V V5 1 0.70544143 0.04041670 0.87336668 1.0 V V6 1 0.20544143 0.45958330 0.12663332 1.0 V V7 1 0.29455857 0.54041670 0.62663332 1.0 V V8 1 0.95958330 0.37336668 0.79455857 1.0 V V9 1 0.04041670 0.87336668 0.70544143 1.0 V V10 1 0.45958330 0.12663332 0.20544143 1.0 V V11 1 0.54041670 0.62663332 0.29455857 1.0 V V12 1 0.37336668 0.79455857 0.95958330 1.0 V V13 1 0.87336668 0.70544143 0.04041670 1.0 V V14 1 0.12663332 0.20544143 0.45958330 1.0 V V15 1 0.62663332 0.29455857 0.54041670 1.0 Ga Ga16 1 0.57405139 0.42594861 0.92594861 1.0 Ga Ga17 1 0.42594861 0.92594861 0.57405139 1.0 Ga Ga18 1 0.92594861 0.57405139 0.42594861 1.0 Ga Ga19 1 0.07405139 0.07405139 0.07405139 1.0 N N20 1 0.87569641 0.12430359 0.62430359 1.0 N N21 1 0.62430359 0.87569641 0.12430359 1.0 N N22 1 0.12430359 0.62430359 0.87569641 1.0 N N23 1 0.37569641 0.37569641 0.37569641 1.0