data_[Ba1Cu1Pd1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3025]
_cell_length_b [6.9585]
_cell_length_c [7.4890]
_cell_angle_alpha [86.7545]
_cell_angle_beta [66.9330]
_cell_angle_gamma [79.1562]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaCuPdBr6]
_chemical_formula_sum '[Ba1 Cu1 Pd1 Br6]'
_cell_volume [296.7292]
_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
[
  Ba  Ba0  1  0.0783  0.9571  0.9552  1
  Cu  Cu1  1  0.6298  0.4937  0.7969  1
  Pd  Pd2  1  0.3232  0.4803  0.3456  1
  Br  Br3  1  0.0207  0.7758  0.3766  1
  Br  Br4  1  0.2905  0.3724  0.0431  1
  Br  Br5  1  0.4227  0.6444  0.5823  1
  Br  Br6  1  0.6171  0.8034  0.9406  1
  Br  Br7  1  0.6315  0.1899  0.3251  1
  Br  Br8  1  0.9860  0.2830  0.6348  1
]