data_[Cr6B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9186]
_cell_length_b [2.9428]
_cell_length_c [13.0438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cr3B4]
_chemical_formula_sum '[Cr6 B8]'
_cell_volume [112.0334]
_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  0.0000  0.5000  0.3140  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  B  B2  4  0.0000  0.0000  0.0664  1.0
  B  B3  4  0.0000  0.5000  0.1398  1.0
]