data_[Ta8Ti8Co8]
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 [Fmmm]
_cell_length_a [5.0380]
_cell_length_b [8.4037]
_cell_length_c [8.6081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [TaTiCo]
_chemical_formula_sum '[Ta8 Ti8 Co8]'
_cell_volume [364.4482]
_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  8  0.0000  0.1627  0.5000  1.0
  Ti  Ti1  8  0.0000  0.0000  0.1636  1.0
  Co  Co2  8  0.2500  0.2500  0.2500  1.0
]