data_[Ta8Si8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5343]
_cell_length_b [3.7140]
_cell_length_c [9.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Si2Ni]
_chemical_formula_sum '[Ta8 Si8 Ni4]'
_cell_volume [284.8245]
_cell_formula_units_Z [4]
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  0.0149  0.0000  0.6781  1.0
  Ta  Ta1  4  0.1930  0.0000  0.1031  1.0
  Si  Si2  4  0.0259  0.5000  0.8855  1.0
  Si  Si3  4  0.1466  0.5000  0.5630  1.0
  Ni  Ni4  4  0.2084  0.5000  0.3459  1.0
]