# generated using pymatgen
data_Tl2NiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76063400
_cell_length_b   4.76063400
_cell_length_c   7.31831753
_cell_angle_alpha   108.98100519
_cell_angle_beta   108.98100519
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiSe2
_chemical_formula_sum   'Tl2 Ni1 Se2'
_cell_volume   147.27170681
_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  0.25000000  0.75000000  0.50000000  1.0
  Tl  Tl1  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.40516600  0.40516600  0.81033100  1.0
  Se  Se4  1  0.59483400  0.59483400  0.18966900  1.0