# generated using pymatgen data_Ta6MnVS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77551302 _cell_length_b 5.77551960 _cell_length_c 12.49007994 _cell_angle_alpha 89.99975588 _cell_angle_beta 90.00022647 _cell_angle_gamma 119.99969240 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6MnVS12 _chemical_formula_sum 'Ta6 Mn1 V1 S12' _cell_volume 360.81021572 _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 Ta Ta0 1 0.99999999 0.99999935 0.50561666 1.0 Ta Ta1 1 0.00000004 0.99999995 0.99437261 1.0 Ta Ta2 1 0.33333336 0.66666667 0.99337588 1.0 Ta Ta3 1 0.66666717 0.33333332 0.99654621 1.0 Ta Ta4 1 0.66665946 0.33333962 0.50344285 1.0 Ta Ta5 1 0.33333467 0.66666660 0.50666150 1.0 Mn Mn6 1 0.33333327 0.66666774 0.25001172 1.0 V V7 1 0.66666609 0.33333228 0.74999095 1.0 S S8 1 0.33122266 0.33052081 0.37972081 1.0 S S9 1 0.66947913 0.00070058 0.37972070 1.0 S S10 1 0.99930061 0.66877922 0.37972065 1.0 S S11 1 0.33372870 0.33284664 0.62983805 1.0 S S12 1 0.99911957 0.66627148 0.62983824 1.0 S S13 1 0.66715276 0.00087986 0.62983822 1.0 S S14 1 0.66714468 0.66624119 0.87017712 1.0 S S15 1 0.33375846 0.00090239 0.87017738 1.0 S S16 1 0.99909753 0.33285568 0.87017701 1.0 S S17 1 0.66950341 0.66877332 0.12025779 1.0 S S18 1 0.99927059 0.33049608 0.12025763 1.0 S S19 1 0.33122585 0.00072923 0.12025799 1.0