data_MgOsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   151.93
_cell_angle_beta   151.93
_cell_angle_gamma   40.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsBr
_chemical_formula_sum   'Mg1 Os1 Br1'
_cell_volume   55.59
_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
  Mg  Mg1  1  0.0  0.0  0.09  1.0
  Os  Os2  1  0.0  0.0  0.87  1.0
  Br  Br0  1  0.0  0.0  0.75  1.0

data_MgOsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgOsBr
_chemical_formula_sum   'Mg2 Os2 Br2'
_cell_volume   111.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.91  1.0
  Os  Os1  2  0.0  0.0  0.13  1.0
  Br  Br2  2  0.0  0.0  0.25  1.0

Mg Os Br
Mg Os Br 0 1 o o - 1 2 o o o 