[CIF]
data_TlPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60077600
_cell_length_b   5.60077600
_cell_length_c   5.60077600
_cell_angle_alpha   149.06659614
_cell_angle_beta   120.40163734
_cell_angle_gamma   68.66478637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Se
_chemical_formula_sum   'Tl1 Pt2 Se1'
_cell_volume   76.90936418
_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
  Pt  Pt0  1  1.49360546  0.00000000  2.20030645  1
  Pt  Pt1  1  -0.00000000  2.78337039  2.42469991  1
  Se  Se2  1  0.00000000  0.00000000  0.00000000  1
  Tl  Tl3  1  0.00000000  0.00000000  4.62500636  1
[/CIF]
