# generated using pymatgen data_Zr2Mn2NbGa6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45971952 _cell_length_b 7.65247770 _cell_length_c 8.71790486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Mn2NbGa6 _chemical_formula_sum 'Zr4 Mn4 Nb2 Ga12' _cell_volume 364.23739416 _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 Zr Zr0 1 0.50000000 0.14677212 0.78036962 1.0 Zr Zr1 1 0.50000000 0.14677212 0.21963038 1.0 Zr Zr2 1 0.00000000 0.85322788 0.71963038 1.0 Zr Zr3 1 0.00000000 0.85322788 0.28036962 1.0 Mn Mn4 1 0.25000000 0.50000000 0.25000000 1.0 Mn Mn5 1 0.25000000 0.50000000 0.75000000 1.0 Mn Mn6 1 0.75000000 0.50000000 0.25000000 1.0 Mn Mn7 1 0.75000000 0.50000000 0.75000000 1.0 Nb Nb8 1 0.50000000 0.72377910 0.50000000 1.0 Nb Nb9 1 0.00000000 0.27622090 0.00000000 1.0 Ga Ga10 1 0.50000000 0.77183631 0.19367661 1.0 Ga Ga11 1 0.50000000 0.77183631 0.80632339 1.0 Ga Ga12 1 0.00000000 0.22816369 0.30632339 1.0 Ga Ga13 1 0.00000000 0.22816369 0.69367661 1.0 Ga Ga14 1 0.50000000 0.37084378 0.50000000 1.0 Ga Ga15 1 0.00000000 0.62915622 0.00000000 1.0 Ga Ga16 1 0.00000000 0.57482556 0.50000000 1.0 Ga Ga17 1 0.50000000 0.42517444 0.00000000 1.0 Ga Ga18 1 0.25936773 0.04412507 0.50000000 1.0 Ga Ga19 1 0.74063227 0.04412507 0.50000000 1.0 Ga Ga20 1 0.24063227 0.95587493 0.00000000 1.0 Ga Ga21 1 0.75936773 0.95587493 0.00000000 1.0