data_ZrCd2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   136.36
_cell_angle_beta   136.36
_cell_angle_gamma   63.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Tc
_chemical_formula_sum   'Zr1 Cd2 Tc1'
_cell_volume   75.83
_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  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.02  0.0  0.32  1.0
  Cd  Cd1  1  0.0  0.02  0.32  1.0
  Tc  Tc2  1  0.0  0.0  0.63  1.0

data_ZrCd2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   121.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCd2Tc
_chemical_formula_sum   'Zr2 Cd4 Tc2'
_cell_volume   151.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.49  0.49  0.29  1.0
  Tc  Tc2  2  0.0  0.0  0.63  1.0

Zr Cd Cd Tc
Zr Cd Cd Tc 0 2 o o o 0 1 o o o 0 3 o o - 1 2 o o o 1 3 o o o 2 3 o o o 