data_[Ti4V2Fe10B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [P4/mbm]
_cell_length_a [8.5879]
_cell_length_b [8.5879]
_cell_length_c [2.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2VFe5B2]
_chemical_formula_sum '[Ti4 V2 Fe10 B4]'
_cell_volume [210.8333]
_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
[
  Ti  Ti0  4  0.1747  0.3253  0.0000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  8  0.0688  0.7848  0.5000  1
  Fe  Fe3  2  0.0000  0.5000  0.5000  1
  B  B4  4  0.1224  0.6224  0.0000  1
]