data_[B2Te2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6771]
_cell_length_b [10.2374]
_cell_length_c [19.3359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [107.6052]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BTeSe4]
_chemical_formula_sum '[B2 Te2 Se8]'
_cell_volume [1259.8293]
_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
[
  B  B0  2  0.0011  0.8334  0.4482  1
  Te  Te1  2  0.4337  0.7327  0.4652  1
  Se  Se2  2  0.0071  0.2401  0.4580  1
  Se  Se3  2  0.2344  0.1731  0.6121  1
  Se  Se4  2  0.2785  0.9290  0.4110  1
  Se  Se5  2  0.3461  0.4075  0.4548  1
]