data_NbTlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.32
_cell_length_c   3.09
_cell_angle_alpha   81.43
_cell_angle_beta   74.59
_cell_angle_gamma   23.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlP
_chemical_formula_sum   'Nb1 Tl1 P1'
_cell_volume   64.5
_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  0.83  0.48  0.84  1.0
  Tl  Tl2  1  0.83  0.48  0.33  1.0
  P  P1  1  0.83  0.48  0.17  1.0

data_NbTlP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   14.17
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   126.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTlP
_chemical_formula_sum   'Nb2 Tl2 P2'
_cell_volume   129.0
_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  2  0.33  0.5  0.68  1.0
  Tl  Tl1  2  0.33  0.5  0.17  1.0
  P  P2  2  0.33  0.5  0.0  1.0

Nb Tl P