data_[Rb1Er1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8947]
_cell_length_b [6.9112]
_cell_length_c [7.6820]
_cell_angle_alpha [93.8724]
_cell_angle_beta [94.0571]
_cell_angle_gamma [113.0220]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbErCuBr6]
_chemical_formula_sum '[Rb1 Er1 Cu1 Br6]'
_cell_volume [334.2423]
_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  0.9670  0.0301  0.0004  1
  Er  Er1  1  0.3200  0.6816  0.5015  1
  Cu  Cu2  1  0.6725  0.3364  0.4958  1
  Br  Br3  1  0.0033  0.3678  0.6637  1
  Br  Br4  1  0.0079  0.6311  0.2477  1
  Br  Br5  1  0.3676  0.9856  0.7588  1
  Br  Br6  1  0.4090  0.3791  0.2877  1
  Br  Br7  1  0.6253  0.5904  0.7099  1
  Br  Br8  1  0.6276  0.9980  0.3344  1
]