data_[Ta4Ti2Co2]
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 [P2_1/m]
_cell_length_a [3.0183]
_cell_length_b [8.6024]
_cell_length_c [5.1477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta2TiCo]
_chemical_formula_sum '[Ta4 Ti2 Co2]'
_cell_volume [130.1489]
_cell_formula_units_Z [2]
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  0.3340  0.0478  0.7369  1.0
  Ti  Ti1  2  0.0822  0.2500  0.1588  1.0
  Co  Co2  2  0.2304  0.7500  0.4500  1.0
]