data_[Cr6Re8B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4132]
_cell_length_b [2.8548]
_cell_length_c [6.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr3(Re2B)2]
_chemical_formula_sum '[Cr6 Re8 B4]'
_cell_volume [213.3045]
_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
[
  Cr  Cr0  4  0.0693  0.0000  0.1698  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Re  Re2  4  0.1349  0.5000  0.8910  1
  Re  Re3  4  0.2345  0.0000  0.6597  1
  B  B4  4  0.0972  0.5000  0.4176  1
]