data_Ta2MnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.85
_cell_angle_alpha   104.7
_cell_angle_beta   104.7
_cell_angle_gamma   31.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnCd
_chemical_formula_sum   'Ta2 Mn1 Cd1'
_cell_volume   66.14
_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  0.99  0.0  0.13  1.0
  Ta  Ta3  1  0.71  0.0  0.54  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.35  0.0  0.34  1.0

data_Ta2MnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.85
_cell_length_c   5.19
_cell_angle_alpha   104.7
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnCd
_chemical_formula_sum   'Ta2 Mn1 Cd1'
_cell_volume   66.14
_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  0.0  0.13  0.99  1.0
  Ta  Ta1  1  0.0  0.54  0.71  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.34  0.35  1.0

Ta Ta Mn Cd