data_CdTc2As
_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   147.74
_cell_angle_beta   133.42
_cell_angle_gamma   57.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2As
_chemical_formula_sum   'Cd1 Tc2 As1'
_cell_volume   65.57
_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  Cd1  1  0.0  0.19  0.27  1.0
  Tc  Tc2  1  0.0  0.0  0.24  1.0
  Tc  Tc3  1  0.54  0.0  0.62  1.0
  As  As0  1  0.0  0.0  0.58  1.0

data_CdTc2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.38
_cell_length_c   5.54
_cell_angle_alpha   113.29
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2As
_chemical_formula_sum   'Cd1 Tc2 As1'
_cell_volume   65.57
_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  0.73  0.92  0.92  1.0
  Tc  Tc1  1  0.76  0.76  0.76  1.0
  Tc  Tc2  1  0.92  0.38  0.92  1.0
  As  As3  1  0.42  0.42  0.42  1.0

Cd Tc Tc As