data_[Y4Tl4Cu4Br20]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2748]
_cell_length_b [12.4586]
_cell_length_c [10.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YTlCuBr5]
_chemical_formula_sum '[Y4 Tl4 Cu4 Br20]'
_cell_volume [1117.2116]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3579  0.2500  1.0
  Cu  Cu2  4  0.0000  0.3087  0.7500  1.0
  Br  Br3  8  0.1139  0.2029  0.6154  1.0
  Br  Br4  8  0.1880  0.4300  0.9308  1.0
  Br  Br5  4  0.0000  0.0831  0.2500  1.0
]