data_[Zr1Cd2Tc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9127]
_cell_length_b [4.6789]
_cell_length_c [5.6988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrCd2Tc]
_chemical_formula_sum '[Zr1 Cd2 Tc1]'
_cell_volume [77.3136]
_cell_formula_units_Z [1]
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
[
  Zr  Zr0  1  0.2916  0.5000  0.7404  1
  Cd  Cd1  1  0.8481  0.5000  0.2622  1
  Cd  Cd2  1  0.8712  0.0000  0.9943  1
  Tc  Tc3  1  0.4890  0.0000  0.5031  1
]