data_[Ta3Co9]
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 [P3m1]
_cell_length_a [4.6991]
_cell_length_b [4.6991]
_cell_length_c [7.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TaCo3]
_chemical_formula_sum '[Ta3 Co9]'
_cell_volume [146.5938]
_cell_formula_units_Z [3]
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  1  0.0000  0.0000  0.5469  1.0
  Ta  Ta1  1  0.0000  0.0000  0.9300  1.0
  Ta  Ta2  1  0.3333  0.6667  0.0939  1.0
  Co  Co3  3  0.0086  0.5043  0.7483  1.0
  Co  Co4  3  0.3298  0.1649  0.2498  1.0
  Co  Co5  1  0.3333  0.6667  0.4408  1.0
  Co  Co6  1  0.6667  0.3333  0.4991  1.0
  Co  Co7  1  0.6667  0.3333  0.9950  1.0
]