data_[Ta4Zn2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2084]
_cell_length_b [6.6760]
_cell_length_c [8.5222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2ZnCl8]
_chemical_formula_sum '[Ta4 Zn2 Cl16]'
_cell_volume [795.6600]
_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  4  0.2500  0.0000  0.4999  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1216  0.2493  0.4099  1
  Cl  Cl3  4  0.2090  0.5000  0.7507  1
  Cl  Cl4  4  0.2119  0.0000  0.7524  1
]