data_PrBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrBrO
_chemical_formula_sum   'Pr2 Br2 O2'
_cell_volume   128.93
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.05  0.0  0.19  1.0
  Pr  Pr1  1  0.0  0.05  0.48  1.0
  Br  Br2  1  0.05  0.0  0.91  1.0
  Br  Br3  1  0.0  0.05  0.76  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.05  0.05  0.0  1.0

data_PrBrO
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PrBrO
_chemical_formula_sum   'Pr4 Br4 O4'
_cell_volume   257.85
_cell_formula_units_Z   4
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
  Pr  Pr0  2  0.0  0.0  0.48  1.0
  Pr  Pr1  2  0.05  0.0  0.19  1.0
  Br  Br2  2  0.0  0.0  0.76  1.0
  Br  Br3  2  0.05  0.0  0.91  1.0
  O  O4  4  0.03  0.03  0.0  1.0

Pr Pr Br Br O O