data_[Cu2Tc4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0389]
_cell_length_b [3.0291]
_cell_length_c [4.6662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuTc2Sb]
_chemical_formula_sum '[Cu2 Tc4 Sb2]'
_cell_volume [125.7030]
_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
[
  Cu  Cu0  2  0.0054  0.5000  0.5096  1
  Tc  Tc1  2  0.2543  0.0000  0.7554  1
  Tc  Tc2  2  0.4941  0.5000  0.9773  1
  Sb  Sb3  2  0.2463  0.5000  0.2577  1
]