data_Nb2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   135.16
_cell_angle_beta   135.16
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlCd
_chemical_formula_sum   'Nb2 Tl1 Cd1'
_cell_volume   78.66
_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
  Nb  Nb1  1  0.07  0.0  0.29  1.0
  Nb  Nb2  1  0.0  0.07  0.29  1.0
  Tl  Tl3  1  0.0  0.0  0.58  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Nb2TlCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   122.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2TlCd
_chemical_formula_sum   'Nb4 Tl2 Cd2'
_cell_volume   157.32
_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
  Nb  Nb0  4  0.46  0.46  0.22  1.0
  Tl  Tl1  2  0.0  0.0  0.58  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0

Nb Nb Tl Cd
Nb Nb Tl Cd 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 