data_[Rb2Hf2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8690]
_cell_length_b [3.8688]
_cell_length_c [13.5623]
_cell_angle_alpha [87.9994]
_cell_angle_beta [86.5643]
_cell_angle_gamma [59.9833]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbHfB]
_chemical_formula_sum '[Rb2 Hf2 B2]'
_cell_volume [175.4596]
_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  1  0.7944  0.8488  0.3141  1
  Rb  Rb1  1  0.9967  0.1656  0.9649  1
  Hf  Hf2  1  0.4149  0.5100  0.5478  1
  Hf  Hf3  1  0.7178  0.8397  0.7013  1
  B  B4  1  0.0655  0.1747  0.6289  1
  B  B5  1  0.0914  0.1779  0.4983  1
]