data_[Rb6Dy2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1732]
_cell_length_b [8.6731]
_cell_length_c [14.1238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3DyBr6]
_chemical_formula_sum '[Rb6 Dy2 Br12]'
_cell_volume [827.1062]
_cell_formula_units_Z [2]
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  4  0.2849  0.5745  0.2562  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0991  0.5502  0.7238  1.0
  Br  Br4  4  0.2364  0.2300  0.5726  1.0
  Br  Br5  4  0.3314  0.6767  0.5540  1.0
]