# generated using pymatgen data_TiMnSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52806103 _cell_length_b 5.52806103 _cell_length_c 14.01133900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998833 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnSn4 _chemical_formula_sum 'Ti3 Mn3 Sn12' _cell_volume 370.81387907 _cell_formula_units_Z 3 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 Ti Ti0 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti1 1 0.00000000 0.50000000 0.16666700 1.0 Ti Ti2 1 0.50000000 0.50000000 0.83333300 1.0 Mn Mn3 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn4 1 0.00000000 0.00000000 0.16666700 1.0 Mn Mn5 1 0.00000000 0.00000000 0.83333300 1.0 Sn Sn6 1 0.16518800 0.33037600 0.00000000 1.0 Sn Sn7 1 0.66962400 0.83481200 0.66666700 1.0 Sn Sn8 1 0.83481200 0.66962400 0.00000000 1.0 Sn Sn9 1 0.33037600 0.16518800 0.66666700 1.0 Sn Sn10 1 0.16518800 0.83481200 0.33333300 1.0 Sn Sn11 1 0.83481200 0.16518800 0.33333300 1.0 Sn Sn12 1 0.50000000 0.00000000 0.88828200 1.0 Sn Sn13 1 0.00000000 0.50000000 0.55494900 1.0 Sn Sn14 1 0.00000000 0.50000000 0.77838400 1.0 Sn Sn15 1 0.50000000 0.50000000 0.22161600 1.0 Sn Sn16 1 0.50000000 0.00000000 0.11171800 1.0 Sn Sn17 1 0.50000000 0.50000000 0.44505100 1.0