data_[Ta2Cu4Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3348]
_cell_length_b [9.6698]
_cell_length_c [3.8185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta(CuNi4)2]
_chemical_formula_sum '[Ta2 Cu4 Ni16]'
_cell_volume [270.8326]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.5000  1
  Cu  Cu1  4  0.0000  0.3797  0.0000  1
  Ni  Ni2  8  0.1708  0.1348  0.0000  1
  Ni  Ni3  4  0.0000  0.2512  0.5000  1
  Ni  Ni4  4  0.1643  0.5000  0.5000  1
]