data_[Cu6Tc6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9215]
_cell_length_b [2.8146]
_cell_length_c [6.0082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuTc]
_chemical_formula_sum '[Cu6 Tc6]'
_cell_volume [161.9201]
_cell_formula_units_Z [6]
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  0.0583  0.0000  0.5919  1
  Tc  Tc1  2  0.1821  0.5000  0.3458  1
  Tc  Tc2  2  0.2011  0.5000  0.9347  1
  Cu  Cu3  2  0.3434  0.0000  0.6848  1
  Cu  Cu4  2  0.3891  0.0000  0.2645  1
  Cu  Cu5  2  0.4927  0.5000  0.0117  1
]