data_GdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   40.93
_cell_angle_beta   40.93
_cell_angle_gamma   40.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdBr
_chemical_formula_sum   'Gd1 Br1'
_cell_volume   52.48
_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
  Gd  Gd1  1  0.0  0.0  0.05  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_GdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   3.59
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   113.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GdBr
_chemical_formula_sum   'Gd2 Br2'
_cell_volume   104.96
_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
  Gd  Gd0  2  -0.0  0.0  0.95  1.0
  Br  Br1  2  0.0  0.0  0.0  1.0

Gd Br
Gd Br 0 1 o o o 