data_[Ta4Sb1Se3]
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 [P-1]
_cell_length_a [5.5380]
_cell_length_b [5.5726]
_cell_length_c [5.7772]
_cell_angle_alpha [69.7444]
_cell_angle_beta [68.3749]
_cell_angle_gamma [70.5590]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta4SbSe3]
_chemical_formula_sum '[Ta4 Sb1 Se3]'
_cell_volume [151.1233]
_cell_formula_units_Z [1]
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  0.2258  0.0070  0.7501  1
  Ta  Ta1  1  0.0000  0.5000  0.0000  1
  Ta  Ta2  1  0.5000  0.5000  0.5000  1
  Sb  Sb3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2865  0.9889  0.2918  1
  Se  Se5  1  0.0000  0.5000  0.5000  1
]