data_[Ta4Co2Hg4Se12]
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
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1415]
_cell_length_b [10.3172]
_cell_length_c [9.9396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Co(HgSe3)2]
_chemical_formula_sum '[Ta4 Co2 Hg4 Se12]'
_cell_volume [602.7098]
_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  0.0000  0.3233  0.5000  1.0
  Co  Co1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.1792  0.0000  1.0
  Se  Se3  8  0.2442  0.1549  0.6683  1.0
  Se  Se4  4  0.2435  0.0000  0.3428  1.0
]