data_[Al1Cu1Br3Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0022]
_cell_length_b [6.0266]
_cell_length_c [6.6141]
_cell_angle_alpha [116.9075]
_cell_angle_beta [115.7746]
_cell_angle_gamma [90.1580]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlCuBr3Cl]
_chemical_formula_sum '[Al1 Cu1 Br3 Cl1]'
_cell_volume [186.0948]
_cell_formula_units_Z [1]
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
[
  Al  Al0  1  0.7475  0.2482  0.5060  1
  Cu  Cu1  1  0.5019  0.4963  0.9956  1
  Br  Br2  1  0.1069  0.5918  0.7500  1
  Br  Br3  1  0.4044  0.3552  0.2524  1
  Br  Br4  1  0.8455  0.8898  0.2489  1
  Cl  Cl5  1  0.6436  0.1687  0.7472  1
]