data_[Ta4Co2Se12]
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 [C2/m]
_cell_length_a [14.0286]
_cell_length_b [3.3819]
_cell_length_c [11.0162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2CoSe6]
_chemical_formula_sum '[Ta4 Co2 Se12]'
_cell_volume [438.5671]
_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  0.1740  0.5000  0.2865  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.0092  0.0000  0.2192  1.0
  Se  Se3  4  0.1671  0.5000  0.5314  1.0
  Se  Se4  4  0.1986  0.0000  0.1240  1.0
]