data_[Cs2Y2Cu4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6869]
_cell_length_b [7.8085]
_cell_length_c [10.7967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsY(CuBr4)2]
_chemical_formula_sum '[Cs2 Y2 Cu4 Br16]'
_cell_volume [898.4362]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1305  0.5000  0.7910  1
  Br  Br3  8  0.0048  0.2400  0.1966  1
  Br  Br4  4  0.1653  0.5000  0.5814  1
  Br  Br5  4  0.2362  0.5000  0.9933  1
]