data_TaMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.09
_cell_angle_alpha   100.57
_cell_angle_beta   100.57
_cell_angle_gamma   31.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnCd2
_chemical_formula_sum   'Ta1 Mn1 Cd2'
_cell_volume   73.6
_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  Ta3  1  0.59  0.0  0.5  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.31  0.0  0.22  1.0
  Cd  Cd1  1  0.86  0.0  0.78  1.0

data_TaMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.09
_cell_length_c   5.27
_cell_angle_alpha   100.57
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnCd2
_chemical_formula_sum   'Ta1 Mn1 Cd2'
_cell_volume   73.6
_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  0.5  0.59  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.22  0.31  1.0
  Cd  Cd3  1  0.0  0.78  0.86  1.0

Ta Mn Cd Cd