data_[Rb1Dy1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [6.8544]
_cell_length_b [6.9987]
_cell_length_c [7.6926]
_cell_angle_alpha [92.5456]
_cell_angle_beta [95.3411]
_cell_angle_gamma [113.2412]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbDyCuBr6]
_chemical_formula_sum '[Rb1 Dy1 Cu1 Br6]'
_cell_volume [336.2797]
_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
[
  Rb  Rb0  1  0.9545  0.0207  0.0010  1.0
  Dy  Dy1  1  0.3283  0.6863  0.5119  1.0
  Cu  Cu2  1  0.6957  0.3612  0.4710  1.0
  Br  Br3  1  0.0067  0.3520  0.6556  1.0
  Br  Br4  1  0.3734  0.9658  0.7824  1.0
  Br  Br5  1  0.4055  0.3958  0.2789  1.0
  Br  Br6  1  0.6095  0.0062  0.3278  1.0
  Br  Br7  1  0.6397  0.5822  0.7059  1.0
  Br  Br8  1  0.9870  0.6299  0.2654  1.0
]