data_[Ta4Co4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1833]
_cell_length_b [5.2354]
_cell_length_c [8.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TaCoNi2]
_chemical_formula_sum '[Ta4 Co4 Ni8]'
_cell_volume [194.8282]
_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  2  0.0000  0.0000  0.6621  1.0
  Ta  Ta1  2  0.5000  0.0000  0.3383  1.0
  Co  Co2  4  0.0000  0.2382  0.9180  1.0
  Ni  Ni3  4  0.5000  0.2382  0.0817  1.0
  Ni  Ni4  2  0.0000  0.0000  0.1610  1.0
  Ni  Ni5  2  0.5000  0.0000  0.8394  1.0
]