data_[Y12Tl4In4]
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 [C2/m]
_cell_length_a [12.1030]
_cell_length_b [5.1602]
_cell_length_c [9.4507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3TlIn]
_chemical_formula_sum '[Y12 Tl4 In4]'
_cell_volume [590.2042]
_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
[
  Y  Y0  4  0.0953  0.0000  0.8396  1
  Y  Y1  4  0.0995  0.5000  0.1453  1
  Y  Y2  4  0.1411  0.0000  0.4380  1
  Tl  Tl3  4  0.2479  0.0000  0.1336  1
  In  In4  4  0.0832  0.5000  0.6177  1
]