# generated using pymatgen
data_TlCr5Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66920035
_cell_length_b   9.06356560
_cell_length_c   9.64183190
_cell_angle_alpha   104.76879857
_cell_angle_beta   100.96884348
_cell_angle_gamma   90.00000017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr5Se8
_chemical_formula_sum   'Tl1 Cr5 Se8'
_cell_volume   303.99356207
_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
  Tl  Tl0  1  0.00001676  0.99998156  0.00003352  1.0
  Cr  Cr1  1  0.49999909  0.49998365  -0.00000182  1.0
  Cr  Cr2  1  0.15785143  0.47464216  0.31570487  1.0
  Cr  Cr3  1  0.20410705  0.83445058  0.40821510  1.0
  Cr  Cr4  1  0.79588183  0.16554807  0.59176466  1.0
  Cr  Cr5  1  0.84215619  0.52537527  0.68431139  1.0
  Se  Se6  1  0.92450691  0.34712889  0.84901381  1.0
  Se  Se7  1  0.32983995  0.00952352  0.65967989  1.0
  Se  Se8  1  0.67015384  0.99049396  0.34030767  1.0
  Se  Se9  1  0.41584684  0.67751231  0.83169367  1.0
  Se  Se10  1  0.58416181  0.32249606  0.16832361  1.0
  Se  Se11  1  0.73778485  0.65590420  0.47556971  1.0
  Se  Se12  1  0.26221009  0.34410386  0.52441818  1.0
  Se  Se13  1  0.07548337  0.65285593  0.15096674  1.0