data_[Ta4Co4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0588]
_cell_length_b [6.1933]
_cell_length_c [7.6233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaCoSe2]
_chemical_formula_sum '[Ta4 Co4 Se8]'
_cell_volume [341.1500]
_cell_formula_units_Z [4]
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  0.4772  0.0257  0.6838  1.0
  Co  Co1  4  0.3956  0.6538  0.4417  1.0
  Se  Se2  4  0.2072  0.7490  0.1013  1.0
  Se  Se3  4  0.2916  0.2481  0.3525  1.0
]