data_[Re2B2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.1383]
_cell_length_b [4.0993]
_cell_length_c [3.0361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReBH]
_chemical_formula_sum '[Re2 B2 H2]'
_cell_volume [49.5147]
_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
[
  Re  Re0  2  0.1143  0.5000  0.8051  1
  B  B1  2  0.1930  0.0000  0.1176  1
  H  H2  2  0.3685  0.5000  0.3940  1
]