# generated using pymatgen
data_TlCr3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35330050
_cell_length_b   10.35330050
_cell_length_c   12.73382252
_cell_angle_alpha   58.19035902
_cell_angle_beta   58.19035902
_cell_angle_gamma   20.63800092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr3Se5
_chemical_formula_sum   'Tl2 Cr6 Se10'
_cell_volume   406.21947810
_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
  Tl  Tl0  1  0.26070900  0.26070900  0.82804300  1.0
  Tl  Tl1  1  0.73929100  0.73929100  0.17195700  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr4  1  0.16441500  0.16441500  0.61182300  1.0
  Cr  Cr5  1  0.83558500  0.83558500  0.38817700  1.0
  Cr  Cr6  1  0.98508700  0.98508700  0.77212300  1.0
  Cr  Cr7  1  0.01491300  0.01491300  0.22787700  1.0
  Se  Se8  1  0.07860700  0.07860700  0.84936500  1.0
  Se  Se9  1  0.92139300  0.92139300  0.15063500  1.0
  Se  Se10  1  0.40870900  0.40870900  0.91874000  1.0
  Se  Se11  1  0.59129100  0.59129100  0.08126000  1.0
  Se  Se12  1  0.57657300  0.57657300  0.60646300  1.0
  Se  Se13  1  0.42342700  0.42342700  0.39353700  1.0
  Se  Se14  1  0.74569000  0.74569000  0.61987000  1.0
  Se  Se15  1  0.25431000  0.25431000  0.38013000  1.0
  Se  Se16  1  0.91859400  0.91859400  0.65381000  1.0
  Se  Se17  1  0.08140600  0.08140600  0.34619000  1.0