data_[Tl4In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9496]
_cell_length_b [3.3943]
_cell_length_c [8.0667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4In]
_chemical_formula_sum '[Tl4 In1]'
_cell_volume [157.0812]
_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
[
  Tl  Tl0  2  0.1930  0.0000  0.3815  1.0
  Tl  Tl1  2  0.3908  0.5000  0.7830  1.0
  In  In2  1  0.0000  0.5000  0.0000  1.0
]