data_[Ta16Cr16Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.8233]
_cell_length_b [8.2863]
_cell_length_c [16.8719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [TaCrNi]
_chemical_formula_sum '[Ta16 Cr16 Ni16]'
_cell_volume [674.3205]
_cell_formula_units_Z [16]
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  16  0.0000  0.1721  0.0000  1
  Cr  Cr1  16  0.0000  0.0000  0.4340  1
  Ni  Ni2  16  0.0000  0.0000  0.1234  1
]