data_[Ti2Tl1Fe1H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1805]
_cell_length_b [5.1805]
_cell_length_c [3.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ti2TlFeH]
_chemical_formula_sum '[Ti2 Tl1 Fe1 H1]'
_cell_volume [89.7142]
_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
[
  Ti  Ti0  2  0.0000  0.5000  0.0000  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  1  0.5000  0.5000  0.5000  1
  H  H3  1  0.0000  0.0000  0.5000  1
]