data_[V11Fe1B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6974]
_cell_length_b [3.0294]
_cell_length_c [11.3734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [V11FeB8]
_chemical_formula_sum '[V11 Fe1 B8]'
_cell_volume [196.3037]
_cell_formula_units_Z [1]
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
[
  V  V0  2  0.0001  0.0000  0.2515  1.0
  V  V1  2  0.1769  0.5000  0.4119  1.0
  V  V2  2  0.1782  0.5000  0.9105  1.0
  V  V3  2  0.3222  0.5000  0.1623  1.0
  V  V4  2  0.3224  0.5000  0.6593  1.0
  V  V5  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe6  1  0.5000  0.0000  0.5000  1.0
  B  B7  2  0.1110  0.0000  0.0556  1.0
  B  B8  2  0.1138  0.0000  0.5549  1.0
  B  B9  2  0.3887  0.0000  0.8036  1.0
  B  B10  2  0.3902  0.0000  0.3091  1.0
]