# generated using pymatgen data_Zr(MnSn)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59348103 _cell_length_b 5.59347568 _cell_length_c 9.13369566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99809704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(MnSn)6 _chemical_formula_sum 'Zr1 Mn6 Sn6' _cell_volume 247.48530644 _cell_formula_units_Z 1 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 0.99999034 0.00001657 -0.00000000 1.0 Mn Mn1 1 -0.00000022 0.50001713 0.24628292 1.0 Mn Mn2 1 -0.00000022 0.50001713 0.75371708 1.0 Mn Mn3 1 0.50000104 0.50001697 0.24627575 1.0 Mn Mn4 1 0.50000104 0.50001697 0.75372425 1.0 Mn Mn5 1 0.50000395 0.00001585 0.24627971 1.0 Mn Mn6 1 0.50000395 0.00001585 0.75372029 1.0 Sn Sn7 1 0.33331557 0.66668783 -0.00000000 1.0 Sn Sn8 1 0.33333250 0.66668547 0.50000000 1.0 Sn Sn9 1 0.00000375 0.00001507 0.32922587 1.0 Sn Sn10 1 0.00000375 0.00001507 0.67077413 1.0 Sn Sn11 1 0.66667331 0.33334132 -0.00000000 1.0 Sn Sn12 1 0.66667023 0.33333778 0.50000000 1.0