data_NbTlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   139.01
_cell_angle_beta   134.6
_cell_angle_gamma   62.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlCo2
_chemical_formula_sum   'Nb1 Tl1 Co2'
_cell_volume   60.6
_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
  Nb  Nb2  1  0.0  0.0  0.25  1.0
  Tl  Tl3  1  0.0  0.96  0.14  1.0
  Co  Co0  1  0.0  0.0  0.67  1.0
  Co  Co1  1  0.78  0.0  0.29  1.0

data_NbTlCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.92
_cell_length_c   5.08
_cell_angle_alpha   112.7
_cell_angle_beta   110.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlCo2
_chemical_formula_sum   'Nb1 Tl1 Co2'
_cell_volume   60.6
_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
  Nb  Nb0  1  0.75  0.75  0.75  1.0
  Tl  Tl1  1  0.86  0.82  0.82  1.0
  Co  Co2  1  0.33  0.33  0.33  1.0
  Co  Co3  1  0.49  0.71  0.49  1.0

Nb Tl Co Co