data_NbOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.5
_cell_angle_alpha   93.17
_cell_angle_beta   93.17
_cell_angle_gamma   32.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Br
_chemical_formula_sum   'Nb1 Os2 Br1'
_cell_volume   66.4
_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  Nb1  1  0.93  0.0  0.25  1.0
  Os  Os2  1  0.05  0.0  0.27  1.0
  Os  Os3  1  0.8  0.0  0.22  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_NbOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.5
_cell_length_c   5.26
_cell_angle_alpha   93.17
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Br
_chemical_formula_sum   'Nb1 Os2 Br1'
_cell_volume   66.4
_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  0.25  0.93  1.0
  Os  Os1  1  0.0  0.22  0.8  1.0
  Os  Os2  1  0.0  0.27  0.05  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Nb Os Os Br