data_[Ti4Be4Al2Fe10]
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
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.4638]
_cell_length_b [8.4638]
_cell_length_c [3.2499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2Be2AlFe5]
_chemical_formula_sum '[Ti4 Be4 Al2 Fe10]'
_cell_volume [232.8121]
_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  0.1752  0.3248  0.0000  1
  Be  Be1  4  0.1204  0.6204  0.0000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Fe  Fe3  8  0.0680  0.7862  0.5000  1
  Fe  Fe4  2  0.0000  0.5000  0.5000  1
]