data_[Rb2Er1H1Br6]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1729]
_cell_length_b [8.0273]
_cell_length_c [8.0395]
_cell_angle_alpha [114.0064]
_cell_angle_beta [109.3063]
_cell_angle_gamma [102.0789]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2ErHBr6]
_chemical_formula_sum '[Rb2 Er1 H1 Br6]'
_cell_volume [365.9851]
_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  2  0.1766  0.4112  0.7230  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  H  H2  1  0.5000  0.0000  0.5000  1.0
  Br  Br3  2  0.2153  0.8651  0.7866  1.0
  Br  Br4  2  0.2579  0.0079  0.3784  1.0
  Br  Br5  2  0.2594  0.3913  0.1603  1.0
]