data_[Ti4Be4V2Fe10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6698]
_cell_length_b [8.6698]
_cell_length_c [2.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2Be2VFe5]
_chemical_formula_sum '[Ti4 Be4 V2 Fe10]'
_cell_volume [223.7679]
_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  0.1718  0.6718  0.0000  1.0
  Be  Be1  4  0.1239  0.3761  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe3  8  0.0677  0.2064  0.5000  1.0
  Fe  Fe4  2  0.0000  0.5000  0.5000  1.0
]