data_[Y2Tl8Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.2571]
_cell_length_b [5.5234]
_cell_length_c [7.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTl4Br7]
_chemical_formula_sum '[Y2 Tl8 Br14]'
_cell_volume [930.6064]
_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  0.0000  1
  Tl  Tl1  4  0.0842  0.5000  0.6377  1
  Tl  Tl2  4  0.1930  0.5000  0.2525  1
  Br  Br3  4  0.0753  0.0000  0.3528  1
  Br  Br4  4  0.1106  0.0000  0.8990  1
  Br  Br5  4  0.2233  0.5000  0.6705  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]