data_[Cr10Si6B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.0204]
_cell_length_b [7.0204]
_cell_length_c [4.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Cr5Si3B]
_chemical_formula_sum '[Cr10 Si6 B2]'
_cell_volume [200.9279]
_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  6  0.0000  0.2458  0.2500  1.0
  Cr  Cr1  4  0.3333  0.6667  0.0000  1.0
  Si  Si2  6  0.0000  0.4007  0.7500  1.0
  B  B3  2  0.0000  0.0000  0.0000  1.0
]