data_Nb2TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.85
_cell_angle_alpha   108.06
_cell_angle_beta   108.06
_cell_angle_gamma   34.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlOs
_chemical_formula_sum   'Nb2 Tl1 Os1'
_cell_volume   73.41
_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  0.1  0.0  0.09  1.0
  Nb  Nb1  1  0.36  0.0  0.19  1.0
  Tl  Tl3  1  0.27  0.0  0.39  1.0
  Os  Os2  1  0.15  0.0  0.21  1.0

data_Nb2TlOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.85
_cell_length_c   5.32
_cell_angle_alpha   108.06
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlOs
_chemical_formula_sum   'Nb2 Tl1 Os1'
_cell_volume   73.41
_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  0.09  0.1  1.0
  Nb  Nb1  1  0.0  0.19  0.36  1.0
  Tl  Tl2  1  0.0  0.39  0.27  1.0
  Os  Os3  1  0.0  0.21  0.15  1.0

Nb Nb Tl Os
Nb Nb Tl Os 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 