data_[Rb1Cu2Ru1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5296]
_cell_length_b [7.2977]
_cell_length_c [8.6392]
_cell_angle_alpha [105.0256]
_cell_angle_beta [97.1361]
_cell_angle_gamma [90.0873]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCu2RuBr8]
_chemical_formula_sum '[Rb1 Cu2 Ru1 Br8]'
_cell_volume [394.2679]
_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  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4733  0.0274  0.6857  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1016  0.0005  0.7256  1.0
  Br  Br4  2  0.1753  0.3144  0.1160  1.0
  Br  Br5  2  0.3265  0.8320  0.0601  1.0
  Br  Br6  2  0.4945  0.2596  0.5252  1.0
]