[CIF]
data_TlFeNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82728080
_cell_length_b   3.34373126
_cell_length_c   5.78580222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeNi2
_chemical_formula_sum   'Tl1 Fe1 Ni2'
_cell_volume   54.69704866
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni1  1  1.41364040  1.67186563  1.19067482  1
  Ni  Ni2  1  1.41364040  1.67186563  4.59512740  1
  Tl  Tl3  1  0.00000000  0.00000000  2.89290111  1
[/CIF]
