data_[Cs4La4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  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 [9.7829]
_cell_length_b [12.9314]
_cell_length_c [11.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLaCuBr5]
_chemical_formula_sum '[Cs4 La4 Cu4 Br20]'
_cell_volume [1286.7510]
_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
[
  Cs  Cs0  4  0.0000  0.3529  0.2500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3082  0.7500  1.0
  Br  Br3  8  0.1025  0.2072  0.6144  1.0
  Br  Br4  8  0.1930  0.4208  0.9170  1.0
  Br  Br5  4  0.0000  0.0787  0.2500  1.0
]