data_[Ta8Fe8Co48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1856]
_cell_length_b [10.2045]
_cell_length_c [10.1982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TaFeCo6]
_chemical_formula_sum '[Ta8 Fe8 Co48]'
_cell_volume [747.7871]
_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  0.0000  0.0000  0.2504  1
  Ta  Ta1  4  0.0000  0.2446  0.5000  1
  Fe  Fe2  4  0.0000  0.2443  0.0000  1
  Fe  Fe3  4  0.0000  0.5000  0.2481  1
  Co  Co4  16  0.2426  0.3770  0.3712  1
  Co  Co5  16  0.2431  0.3725  0.1213  1
  Co  Co6  8  0.0000  0.2538  0.2433  1
  Co  Co7  2  0.0000  0.0000  0.0000  1
  Co  Co8  2  0.0000  0.0000  0.5000  1
  Co  Co9  2  0.0000  0.5000  0.0000  1
  Co  Co10  2  0.0000  0.5000  0.5000  1
]