data_Ta2CrCd
_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   142.06
_cell_angle_beta   127.45
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrCd
_chemical_formula_sum   'Ta2 Cr1 Cd1'
_cell_volume   68.59
_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
  Ta  Ta2  1  0.7  0.0  0.97  1.0
  Ta  Ta3  1  0.0  0.31  0.39  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.37  1.0

data_Ta2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.63
_cell_length_c   5.22
_cell_angle_alpha   116.28
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrCd
_chemical_formula_sum   'Ta2 Cr1 Cd1'
_cell_volume   68.59
_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
  Ta  Ta0  1  0.61  0.92  0.92  1.0
  Ta  Ta1  1  0.73  0.03  0.73  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.63  0.63  0.63  1.0

Ta Ta Cr Cd
Ta Ta Cr Cd 0 2 + o + 0 1 + o + 0 3 + o + 1 2 o o o 1 3 o o o 