# generated using pymatgen data_ZrMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29375420 _cell_length_b 5.29370626 _cell_length_c 5.10924551 _cell_angle_alpha 58.79952183 _cell_angle_beta 58.79979558 _cell_angle_gamma 60.00099953 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn2 _chemical_formula_sum 'Zr2 Mn4' _cell_volume 99.36788513 _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 0.37436080 0.37436080 0.37691698 1.0 Zr Zr1 1 0.62563920 0.62563920 0.62308302 1.0 Mn Mn2 1 -0.00000000 0.00000000 0.00000000 1.0 Mn Mn3 1 -0.00000000 0.00000000 0.50000000 1.0 Mn Mn4 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn5 1 -0.00000000 0.50000000 0.00000000 1.0