data_Nb2TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlOs
_chemical_formula_sum   'Nb2 Tl1 Os1'
_cell_volume   71.64
_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  0.44  0.92  0.49  1.0
  Nb  Nb1  1  0.44  0.08  0.49  1.0
  Tl  Tl3  1  0.89  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_Nb2TlOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.06
_cell_length_b   2.99
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2TlOs
_chemical_formula_sum   'Nb2 Tl1 Os1'
_cell_volume   71.64
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.44  0.5  0.08  1.0
  Nb  Nb1  1  0.44  0.5  0.92  1.0
  Tl  Tl2  1  0.89  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Nb Nb Tl Os