data_Te2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   7.57
_cell_angle_alpha   90.3
_cell_angle_beta   90.3
_cell_angle_gamma   58.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsBr
_chemical_formula_sum   'Te2 Os1 Br1'
_cell_volume   108.83
_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  Te2  1  0.19  0.0  0.04  1.0
  Te  Te3  1  0.94  0.0  0.53  1.0
  Os  Os1  1  0.57  0.0  0.79  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Te2OsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.11
_cell_length_c   7.57
_cell_angle_alpha   90.3
_cell_angle_beta   90.0
_cell_angle_gamma   119.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsBr
_chemical_formula_sum   'Te2 Os1 Br1'
_cell_volume   108.83
_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  0.06  0.47  1.0
  Te  Te1  1  0.0  0.81  0.96  1.0
  Os  Os2  1  0.0  0.43  0.21  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Te Te Os Br