data_[Ta4Se4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1054]
_cell_length_b [6.2864]
_cell_length_c [12.0425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaSeCl2]
_chemical_formula_sum '[Ta4 Se4 Cl8]'
_cell_volume [406.0734]
_cell_formula_units_Z [4]
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  4  0.3785  0.0057  0.5825  1
  Se  Se1  4  0.3565  0.7372  0.7518  1
  Cl  Cl2  4  0.0021  0.7036  0.9266  1
  Cl  Cl3  4  0.3174  0.2484  0.4109  1
]