data_[Cs1Dy1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8607]
_cell_length_b [7.0158]
_cell_length_c [8.0214]
_cell_angle_alpha [92.5960]
_cell_angle_beta [95.8594]
_cell_angle_gamma [112.8948]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsDyCuBr6]
_chemical_formula_sum '[Cs1 Dy1 Cu1 Br6]'
_cell_volume [352.2983]
_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
[
  Cs  Cs0  1  0.9440  0.0285  0.0028  1.0
  Dy  Dy1  1  0.3306  0.6850  0.5134  1.0
  Cu  Cu2  1  0.7014  0.3659  0.4685  1.0
  Br  Br3  1  0.0102  0.3507  0.6433  1.0
  Br  Br4  1  0.3740  0.9580  0.7760  1.0
  Br  Br5  1  0.4134  0.4050  0.2855  1.0
  Br  Br6  1  0.5996  0.0052  0.3377  1.0
  Br  Br7  1  0.6399  0.5768  0.6974  1.0
  Br  Br8  1  0.9871  0.6251  0.2752  1.0
]