data_[Ta9Co27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1628]
_cell_length_b [5.1628]
_cell_length_c [18.7555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TaCo3]
_chemical_formula_sum '[Ta9 Co27]'
_cell_volume [432.9475]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.2184  1.0
  Ta  Ta1  3  0.0000  0.0000  0.0000  1.0
  Co  Co2  18  0.0186  0.5093  0.2233  1.0
  Co  Co3  9  0.0000  0.5000  0.0000  1.0
]