data_[Ta2In2Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2804]
_cell_length_b [3.5555]
_cell_length_c [9.9878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaInCoSe3]
_chemical_formula_sum '[Ta2 In2 Co2 Se6]'
_cell_volume [273.8074]
_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  2  0.4650  0.7500  0.1826  1.0
  In  In1  2  0.0274  0.2500  0.7035  1.0
  Co  Co2  2  0.4710  0.2500  0.3884  1.0
  Se  Se3  2  0.2326  0.2500  0.1671  1.0
  Se  Se4  2  0.3225  0.2500  0.5577  1.0
  Se  Se5  2  0.3319  0.7500  0.8862  1.0
]