data_[Cd2In2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9275]
_cell_length_b [3.0307]
_cell_length_c [4.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdInTc2]
_chemical_formula_sum '[Cd2 In2 Tc4]'
_cell_volume [142.1844]
_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
[
  Cd  Cd0  2  0.4880  0.0000  0.4828  1
  In  In1  2  0.2633  0.0000  0.7677  1
  Tc  Tc2  2  0.0216  0.0000  0.0133  1
  Tc  Tc3  2  0.2271  0.5000  0.2362  1
]