# generated using pymatgen
data_HfTa6MnS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77280234
_cell_length_b   5.77280366
_cell_length_c   12.80521494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa6MnS12
_chemical_formula_sum   'Hf1 Ta6 Mn1 S12'
_cell_volume   369.56512994
_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
  Hf  Hf0  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta1  1  0.00000000  0.00000000  0.49993969  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.00006031  1.0
  Ta  Ta3  1  0.33333300  0.66666700  0.99902871  1.0
  Ta  Ta4  1  0.66666700  0.33333300  0.00112396  1.0
  Ta  Ta5  1  0.66666700  0.33333300  0.49887604  1.0
  Ta  Ta6  1  0.33333300  0.66666700  0.50097129  1.0
  Mn  Mn7  1  0.33333300  0.66666700  0.25000000  1.0
  S  S8  1  0.33164400  0.33039677  0.37754972  1.0
  S  S9  1  0.66960323  0.00124723  0.37754972  1.0
  S  S10  1  0.99875277  0.66835600  0.37754972  1.0
  S  S11  1  0.33080902  0.33284989  0.62385758  1.0
  S  S12  1  0.00203987  0.66919098  0.62385758  1.0
  S  S13  1  0.66715011  0.99796013  0.62385758  1.0
  S  S14  1  0.66715011  0.66919098  0.87614242  1.0
  S  S15  1  0.33080902  0.99796013  0.87614242  1.0
  S  S16  1  0.00203987  0.33284989  0.87614242  1.0
  S  S17  1  0.66960323  0.66835600  0.12245028  1.0
  S  S18  1  0.99875277  0.33039677  0.12245028  1.0
  S  S19  1  0.33164400  0.00124723  0.12245028  1.0