data_[Ta2Bi2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7921]
_cell_length_b [6.7371]
_cell_length_c [6.7248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaBiSe4]
_chemical_formula_sum '[Ta2 Bi2 Se8]'
_cell_volume [307.1543]
_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  0.5000  0.0000  0.5000  1
  Bi  Bi1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1585  0.1188  0.3953  1
  Se  Se3  4  0.3899  0.6577  0.3321  1
]