data_[Y4Tl2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0123]
_cell_length_b [4.9831]
_cell_length_c [11.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y2TlIn]
_chemical_formula_sum '[Y4 Tl2 In2]'
_cell_volume [221.7320]
_cell_formula_units_Z [2]
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
[
  Y  Y0  2  0.0000  0.0000  0.9941  1.0
  Y  Y1  2  0.0000  0.5000  0.7545  1.0
  Tl  Tl2  2  0.0000  0.5000  0.2339  1.0
  In  In3  2  0.0000  0.0000  0.5176  1.0
]