data_[Er3Tm3H6Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7585]
_cell_length_b [3.7585]
_cell_length_c [29.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ErTm(HBr)2]
_chemical_formula_sum '[Er3 Tm3 H6 Br6]'
_cell_volume [366.2375]
_cell_formula_units_Z [3]
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
[
  Er  Er0  3  0.0000  0.0000  0.8802  1
  Tm  Tm1  3  0.0000  0.0000  0.1252  1
  H  H2  3  0.0000  0.0000  0.1973  1
  H  H3  3  0.0000  0.0000  0.8078  1
  Br  Br4  3  0.0000  0.0000  0.3967  1
  Br  Br5  3  0.0000  0.0000  0.6090  1
]