data_[Cd4Tc2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6971]
_cell_length_b [2.7298]
_cell_length_c [5.0507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2TcNi]
_chemical_formula_sum '[Cd4 Tc2 Ni2]'
_cell_volume [133.0917]
_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  0.2680  0.5000  0.3283  1
  Cd  Cd1  2  0.4875  0.5000  0.9332  1
  Tc  Tc2  2  0.2244  0.0000  0.7955  1
  Ni  Ni3  2  0.0202  0.5000  0.4430  1
]