data_TlCo2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   35.01
_cell_angle_beta   35.01
_cell_angle_gamma   35.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Sb
_chemical_formula_sum   'Tl1 Co2 Sb1'
_cell_volume   82.74
_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  0.43  1.0
  Co  Co0  1  0.0  0.0  0.67  1.0
  Co  Co1  1  0.0  0.0  0.06  1.0
  Sb  Sb2  1  0.0  0.0  0.93  1.0

data_TlCo2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   3.94
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCo2Sb
_chemical_formula_sum   'Tl2 Co4 Sb2'
_cell_volume   165.48
_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  0.57  1.0
  Co  Co1  2  -0.0  0.0  0.94  1.0
  Co  Co2  2  -0.0  0.0  0.33  1.0
  Sb  Sb3  2  -0.0  0.0  0.07  1.0

Tl Co Co Sb