data_LaOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   134.65
_cell_angle_beta   134.65
_cell_angle_gamma   66.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs2Br
_chemical_formula_sum   'La1 Os2 Br1'
_cell_volume   78.48
_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
  La  La1  1  0.08  0.0  0.26  1.0
  Os  Os2  1  0.0  0.0  0.53  1.0
  Os  Os3  1  0.0  0.08  0.26  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.4
_cell_angle_alpha   112.67
_cell_angle_beta   112.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs2Br
_chemical_formula_sum   'La1 Os2 Br1'
_cell_volume   78.48
_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
  La  La0  1  0.26  0.18  0.18  1.0
  Os  Os1  1  0.18  0.26  0.18  1.0
  Os  Os2  1  0.53  0.53  0.53  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La Os Os Br