data_[Cr10B12]
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 [Cmmm]
_cell_length_a [2.9341]
_cell_length_b [20.8610]
_cell_length_c [2.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cr5B6]
_chemical_formula_sum '[Cr10 B12]'
_cell_volume [178.8561]
_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  0.1958  0.5000  1.0
  Cr  Cr1  4  0.0000  0.3835  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  B  B3  4  0.0000  0.0872  0.5000  1.0
  B  B4  4  0.0000  0.2744  0.0000  1.0
  B  B5  4  0.0000  0.4586  0.5000  1.0
]