data_[Cu4Tc2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9631]
_cell_length_b [2.7578]
_cell_length_c [4.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2TcCl]
_chemical_formula_sum '[Cu4 Tc2 Cl2]'
_cell_volume [113.5034]
_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  0.0110  0.5000  0.4228  1
  Cu  Cu1  2  0.2437  0.0000  0.8380  1
  Cu  Cu2  2  0.4867  0.5000  0.9107  1
  Cl  Cl3  2  0.2586  0.5000  0.3285  1
]