data_[Ta8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.9838]
_cell_length_b [5.4783]
_cell_length_c [9.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TaSi]
_chemical_formula_sum '[Ta8 Si8]'
_cell_volume [252.5030]
_cell_formula_units_Z [8]
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
[
  Ta  Ta0  4  0.1141  0.6110  0.2763  1
  Ta  Ta1  4  0.1272  0.8861  0.9494  1
  Si  Si2  4  0.1078  0.0175  0.6854  1
  Si  Si3  4  0.1483  0.3850  0.0293  1
]