# generated using pymatgen
data_Ta3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75466523
_cell_length_b   5.75466529
_cell_length_c   12.26665153
_cell_angle_alpha   89.99999922
_cell_angle_beta   90.00001086
_cell_angle_gamma   119.99994535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3CrS6
_chemical_formula_sum   'Ta6 Cr2 S12'
_cell_volume   351.80096895
_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
  Ta  Ta0  1  0.00000028  0.00000042  0.49999581  1.0
  Ta  Ta1  1  -0.00000035  -0.00000027  0.00000420  1.0
  Ta  Ta2  1  0.33333303  0.66666638  0.99690658  1.0
  Ta  Ta3  1  0.66666624  0.33333317  0.00309469  1.0
  Ta  Ta4  1  0.66666686  0.33333375  0.49690574  1.0
  Ta  Ta5  1  0.33333363  0.66666704  0.50309404  1.0
  Cr  Cr6  1  0.33333322  0.66666662  0.24999964  1.0
  Cr  Cr7  1  0.66666660  0.33333336  0.75000024  1.0
  S  S8  1  0.33179448  0.33326221  0.37182174  1.0
  S  S9  1  0.66673837  -0.00146724  0.37182194  1.0
  S  S10  1  0.00146788  0.66820610  0.37182175  1.0
  S  S11  1  0.33324615  0.33179721  0.62816842  1.0
  S  S12  1  -0.00144876  0.66675444  0.62816823  1.0
  S  S13  1  0.66820341  0.00144939  0.62816838  1.0
  S  S14  1  0.66820268  0.66675433  0.87183172  1.0
  S  S15  1  0.33324512  0.00144813  0.87183189  1.0
  S  S16  1  -0.00144884  0.33179670  0.87183170  1.0
  S  S17  1  0.66674031  0.66820624  0.12817886  1.0
  S  S18  1  0.00146552  0.33325913  0.12817864  1.0
  S  S19  1  0.33179319  -0.00146611  0.12817880  1.0