[CIF]
data_Tl2FeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60105012
_cell_length_b   5.60105012
_cell_length_c   5.60105012
_cell_angle_alpha   139.87343631
_cell_angle_beta   126.51765351
_cell_angle_gamma   68.91864908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeAs
_chemical_formula_sum   'Tl2 Fe1 As1'
_cell_volume   89.45731701
_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
  As  As0  1  -0.00000000  0.00000000  4.61822313  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  Tl  Tl2  1  1.92148395  -0.00000000  2.17012097  1
  Tl  Tl3  1  0.00000000  2.52025337  2.44810216  1
[/CIF]
