data_Nb2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.01
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeOs
_chemical_formula_sum   'Nb2 Te1 Os1'
_cell_volume   73.26
_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  0.33  0.01  0.61  1.0
  Nb  Nb1  1  0.64  0.01  0.2  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.41  0.0  0.91  1.0

data_Nb2TeOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.14
_cell_length_b   4.01
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2TeOs
_chemical_formula_sum   'Nb2 Te1 Os1'
_cell_volume   73.26
_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  0.33  0.0  0.61  1.0
  Nb  Nb1  1  0.64  0.0  0.2  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.41  0.0  0.91  1.0

Nb Nb Te Os