data_NbTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   132.11
_cell_angle_beta   132.11
_cell_angle_gamma   70.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Pt
_chemical_formula_sum   'Nb1 Tl2 Pt1'
_cell_volume   83.54
_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  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.18  0.2  1.0
  Tl  Tl3  1  0.18  0.0  0.2  1.0
  Pt  Pt1  1  0.0  0.0  0.4  1.0

data_NbTl2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   125.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTl2Pt
_chemical_formula_sum   'Nb2 Tl4 Pt2'
_cell_volume   167.07
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.39  0.41  0.98  1.0
  Pt  Pt2  2  0.1  0.5  0.6  1.0

Nb Tl Tl Pt