data_[Co2Te8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5903]
_cell_length_b [6.3863]
_cell_length_c [6.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoTe4Se]
_chemical_formula_sum '[Co2 Te8 Se2]'
_cell_volume [313.6602]
_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
[
  Co  Co0  2  0.5000  0.0000  0.5000  1
  Te  Te1  4  0.1632  0.6103  0.9088  1
  Te  Te2  4  0.4160  0.1415  0.8388  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
]