data_[Ta8Ti8Co48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2600]
_cell_length_b [10.2533]
_cell_length_c [10.2519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TaTiCo6]
_chemical_formula_sum '[Ta8 Ti8 Co48]'
_cell_volume [763.1358]
_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  0.2489  1
  Ta  Ta1  4  0.0000  0.2485  0.5000  1
  Ti  Ti2  4  0.0000  0.2475  0.0000  1
  Ti  Ti3  4  0.0000  0.5000  0.2495  1
  Co  Co4  16  0.2472  0.3741  0.1236  1
  Co  Co5  16  0.2476  0.3759  0.3736  1
  Co  Co6  8  0.0000  0.2515  0.2477  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
]