data_TlCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71
_cell_length_b   9.71
_cell_length_c   9.71
_cell_angle_alpha   18.86
_cell_angle_beta   18.86
_cell_angle_gamma   18.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Co
_chemical_formula_sum   'Tl1 Cd2 Co1'
_cell_volume   83.61
_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
  Tl  Tl3  1  0.0  0.0  0.3  1.0
  Cd  Cd0  1  0.0  0.0  0.52  1.0
  Cd  Cd1  1  0.0  0.0  0.08  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_TlCd2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   100.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCd2Co
_chemical_formula_sum   'Tl2 Cd4 Co2'
_cell_volume   167.22
_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
  Tl  Tl0  2  0.0  0.0  0.7  1.0
  Cd  Cd1  2  0.0  0.0  0.48  1.0
  Cd  Cd2  2  0.0  0.0  0.92  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

Tl Cd Cd Co
Tl Cd Cd Co 0 2 o o o 0 1 o o o 2 3 o o o 