data_CaTaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   155.82
_cell_angle_beta   155.82
_cell_angle_gamma   34.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaCd
_chemical_formula_sum   'Ca1 Ta1 Cd1'
_cell_volume   68.23
_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
  Ca  Ca0  1  0.0  0.0  0.01  1.0
  Ta  Ta2  1  0.0  0.0  0.57  1.0
  Cd  Cd1  1  0.0  0.0  0.58  1.0

data_CaTaCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTaCd
_chemical_formula_sum   'Ca2 Ta2 Cd2'
_cell_volume   136.47
_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
  Ca  Ca0  2  0.0  0.0  0.99  1.0
  Ta  Ta1  2  0.0  0.0  0.43  1.0
  Cd  Cd2  2  0.0  0.0  0.42  1.0

Ca Ta Cd