# generated using pymatgen data_Nd3GaNiSe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27869699 _cell_length_b 10.27869699 _cell_length_c 6.51422300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3GaNiSe7 _chemical_formula_sum 'Nd6 Ga2 Ni2 Se14' _cell_volume 596.03169205 _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 Nd Nd0 1 0.15655400 0.37296000 0.22115500 1.0 Nd Nd1 1 0.21640600 0.84344600 0.22115500 1.0 Nd Nd2 1 0.62704000 0.78359400 0.22115500 1.0 Nd Nd3 1 0.84344600 0.62704000 0.72115500 1.0 Nd Nd4 1 0.78359400 0.15655400 0.72115500 1.0 Nd Nd5 1 0.37296000 0.21640600 0.72115500 1.0 Ga Ga6 1 0.33333300 0.66666700 0.79964900 1.0 Ga Ga7 1 0.66666700 0.33333300 0.29964900 1.0 Ni Ni8 1 0.00000000 0.00000000 0.91327000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.41327000 1.0 Se Se10 1 0.43558400 0.52006100 0.94846600 1.0 Se Se11 1 0.08447700 0.56441600 0.94846600 1.0 Se Se12 1 0.47993900 0.91552300 0.94846600 1.0 Se Se13 1 0.56441600 0.47993900 0.44846600 1.0 Se Se14 1 0.91552300 0.43558400 0.44846600 1.0 Se Se15 1 0.52006100 0.08447700 0.44846600 1.0 Se Se16 1 0.33333300 0.66666700 0.43120200 1.0 Se Se17 1 0.66666700 0.33333300 0.93120200 1.0 Se Se18 1 0.23012300 0.13195600 0.14589600 1.0 Se Se19 1 0.90183200 0.76987700 0.14589600 1.0 Se Se20 1 0.86804400 0.09816800 0.14589600 1.0 Se Se21 1 0.76987700 0.86804400 0.64589600 1.0 Se Se22 1 0.09816800 0.23012300 0.64589600 1.0 Se Se23 1 0.13195600 0.90183200 0.64589600 1.0