# generated using pymatgen
data_TlFeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97611934
_cell_length_b   6.97611934
_cell_length_c   6.94504721
_cell_angle_alpha   63.91828562
_cell_angle_beta   63.91828562
_cell_angle_gamma   46.40107634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeSe2
_chemical_formula_sum   'Tl2 Fe2 Se4'
_cell_volume   214.94868009
_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  0.18661500  0.18661500  0.36147700  1.0
  Tl  Tl1  1  0.81338500  0.81338500  0.63852300  1.0
  Fe  Fe2  1  0.24850700  0.75149300  0.00000000  1.0
  Fe  Fe3  1  0.75149300  0.24850700  0.00000000  1.0
  Se  Se4  1  0.46434100  0.46434100  0.29267400  1.0
  Se  Se5  1  0.53565900  0.53565900  0.70732600  1.0
  Se  Se6  1  0.83540700  0.83540700  0.08813200  1.0
  Se  Se7  1  0.16459300  0.16459300  0.91186800  1.0