data_AlSeBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.32
_cell_length_c   27.3
_cell_angle_alpha   90.0
_cell_angle_beta   106.54
_cell_angle_gamma   84.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSeBr7
_chemical_formula_sum   'Al1 Se1 Br7'
_cell_volume   1080.29
_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
  Al  Al0  1  0.68  0.02  0.19  1.0
  Se  Se1  1  0.0  0.57  0.28  1.0
  Br  Br2  1  0.43  0.95  0.11  1.0
  Br  Br3  1  0.69  0.39  0.19  1.0
  Br  Br4  1  0.02  0.85  0.19  1.0
  Br  Br5  1  0.61  0.9  0.26  1.0
  Br  Br6  1  0.29  0.32  0.27  1.0
  Br  Br7  1  0.89  0.37  0.34  1.0
  Br  Br8  1  0.21  0.8  0.34  1.0

Al Se Br Br Br Br Br Br Br 0 2 o - o 0 5 o - o 0 4 + - o 0 3 o o o 1 7 - o o 1 6 o o o 1 8 o o o 
data_AlSeBr7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.32
_cell_length_b   6.57
_cell_length_c   26.2
_cell_angle_alpha   92.62
_cell_angle_beta   91.49
_cell_angle_gamma   95.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSeBr7
_chemical_formula_sum   'Al1 Se1 Br7'
_cell_volume   1080.29
_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
  Al  Al0  1  0.98  0.5  0.19  1.0
  Se  Se1  1  0.43  0.73  0.28  1.0
  Br  Br2  1  0.05  0.31  0.11  1.0
  Br  Br3  1  0.1  0.35  0.26  1.0
  Br  Br4  1  0.15  0.83  0.19  1.0
  Br  Br5  1  0.2  0.88  0.34  1.0
  Br  Br6  1  0.61  0.51  0.19  1.0
  Br  Br7  1  0.63  0.55  0.34  1.0
  Br  Br8  1  0.68  0.02  0.27  1.0
