data_[Tl4Zn4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.8766]
_cell_length_b [3.4681]
_cell_length_c [4.7457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlZnIn]
_chemical_formula_sum '[Tl4 Zn4 In4]'
_cell_volume [303.9679]
_cell_formula_units_Z [4]
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  0.1438  0.5000  0.9155  1.0
  Tl  Tl1  2  0.2655  0.0000  0.5200  1.0
  Zn  Zn2  2  0.0936  0.0000  0.3736  1.0
  Zn  Zn3  2  0.4850  0.0000  0.1804  1.0
  In  In4  2  0.3486  0.5000  0.0867  1.0
  In  In5  2  0.4676  0.5000  0.6751  1.0
]