data_[Zr2Tc2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3780]
_cell_length_b [3.2135]
_cell_length_c [5.6423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrTcCl2]
_chemical_formula_sum '[Zr2 Tc2 Cl4]'
_cell_volume [186.7875]
_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
[
  Zr  Zr0  2  0.2722  0.5000  0.1466  1
  Tc  Tc1  2  0.4021  0.0000  0.4246  1
  Cl  Cl2  2  0.0488  0.0000  0.1737  1
  Cl  Cl3  2  0.2769  0.0000  0.7551  1
]