data_[Cd2Tc4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6334]
_cell_length_b [2.8960]
_cell_length_c [4.7872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdTc2Mo]
_chemical_formula_sum '[Cd2 Tc4 Mo2]'
_cell_volume [129.8566]
_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  0.4966  0.0000  0.4959  1
  Tc  Tc1  2  0.0063  0.0000  0.0023  1
  Tc  Tc2  2  0.2351  0.5000  0.2213  1
  Mo  Mo3  2  0.2619  0.0000  0.7805  1
]