data_[Ta2Sb2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [15.0900]
_cell_length_b [3.6704]
_cell_length_c [18.7775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TaSbSe5]
_chemical_formula_sum '[Ta2 Sb2 Se10]'
_cell_volume [1040.0074]
_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  0.2500  0.0000  0.9962  1
  Sb  Sb1  2  0.0000  0.5000  0.0000  1
  Se  Se2  4  0.0975  0.0000  0.0768  1
  Se  Se3  4  0.1557  0.5000  0.9217  1
  Se  Se4  2  0.2500  0.5000  0.1006  1
]