data_Cd2InTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   137.1
_cell_angle_beta   137.1
_cell_angle_gamma   62.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InTc
_chemical_formula_sum   'Cd2 In1 Tc1'
_cell_volume   78.03
_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
  Cd  Cd0  1  0.03  0.0  0.37  1.0
  Cd  Cd1  1  0.0  0.03  0.37  1.0
  In  In2  1  0.0  0.0  0.75  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Cd2InTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   121.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2InTc
_chemical_formula_sum   'Cd4 In2 Tc2'
_cell_volume   156.06
_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
  Cd  Cd0  4  0.49  0.49  0.35  1.0
  In  In1  2  0.0  0.0  0.75  1.0
  Tc  Tc2  2  0.0  0.0  0.0  1.0

Cd Cd In Tc
Cd Cd In Tc 0 1 o o o 2 3 o o + 