data_VCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   145.09
_cell_angle_beta   129.31
_cell_angle_gamma   63.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdTc2
_chemical_formula_sum   'V1 Cd1 Tc2'
_cell_volume   62.32
_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
  V  V3  1  0.0  0.0  0.26  1.0
  Cd  Cd0  1  0.0  0.24  0.18  1.0
  Tc  Tc1  1  0.0  0.0  0.15  1.0
  Tc  Tc2  1  0.57  0.0  0.31  1.0

data_VCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.47
_cell_length_c   5.22
_cell_angle_alpha   115.35
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdTc2
_chemical_formula_sum   'V1 Cd1 Tc2'
_cell_volume   62.32
_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
  V  V0  1  0.0  0.26  0.26  1.0
  Cd  Cd1  1  0.76  0.94  0.94  1.0
  Tc  Tc2  1  0.0  0.15  0.15  1.0
  Tc  Tc3  1  0.0  0.31  0.75  1.0

V Cd Tc Tc