data_[Tc2Te2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6307]
_cell_length_b [4.6961]
_cell_length_c [12.9291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TcTeCl2]
_chemical_formula_sum '[Tc2 Te2 Cl4]'
_cell_volume [220.4432]
_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
[
  Tc  Tc0  2  0.0000  0.0000  0.5098  1
  Te  Te1  2  0.5000  0.0000  0.6506  1
  Cl  Cl2  2  0.0000  0.0000  0.9700  1
  Cl  Cl3  2  0.5000  0.0000  0.3694  1
]