[CIF]
data_TlFe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44782195
_cell_length_b   4.44782195
_cell_length_c   3.18016471
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54247518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Mo
_chemical_formula_sum   'Tl1 Fe2 Mo1'
_cell_volume   62.36924102
_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  1.46570653  -1.67256820  1.59008236  1
  Fe  Fe1  1  1.46570653  1.67256820  1.59008236  1
  Mo  Mo2  1  -0.00000000  0.00000000  0.00000000  1
  Tl  Tl3  1  2.93141306  0.00000000  0.00000000  1
[/CIF]
