data_TeOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   160.38
_cell_angle_beta   159.12
_cell_angle_gamma   28.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOs2Br
_chemical_formula_sum   'Te1 Os2 Br1'
_cell_volume   85.13
_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
  Te  Te3  1  0.52  0.0  0.17  1.0
  Os  Os1  1  0.52  0.0  0.14  1.0
  Os  Os2  1  0.0  0.0  0.15  1.0
  Br  Br0  1  0.0  0.0  0.49  1.0

data_TeOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.24
_cell_length_c   8.93
_cell_angle_alpha   100.44
_cell_angle_beta   99.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOs2Br
_chemical_formula_sum   'Te1 Os2 Br1'
_cell_volume   85.13
_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
  Te  Te0  1  0.0  0.17  0.65  1.0
  Os  Os1  1  0.0  0.14  0.62  1.0
  Os  Os2  1  0.0  0.15  0.15  1.0
  Br  Br3  1  0.0  0.49  0.49  1.0

Te Os Os Br