data_Cr3B7BrO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3B7BrO13
_chemical_formula_sum   'Cr6 B14 Br2 O26'
_cell_volume   464.6
_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
  Cr  Cr0  1  0.07  0.15  0.07  1.0
  Cr  Cr1  1  0.15  0.07  0.07  1.0
  Cr  Cr2  1  0.07  0.0  0.07  1.0
  Cr  Cr3  1  0.07  0.07  0.15  1.0
  Cr  Cr4  1  0.07  0.07  0.0  1.0
  Cr  Cr5  1  0.0  0.07  0.07  1.0
  B  B6  1  0.16  0.98  0.16  1.0
  B  B7  1  0.13  0.16  0.16  1.0
  B  B8  1  0.98  0.98  0.98  1.0
  B  B9  1  0.16  0.16  0.98  1.0
  B  B10  1  0.16  0.13  0.16  1.0
  B  B11  1  0.16  0.16  0.13  1.0
  B  B12  1  0.13  0.13  0.13  1.0
  B  B13  1  0.98  0.16  0.16  1.0
  B  B14  1  0.15  0.22  0.15  1.0
  B  B15  1  0.22  0.15  0.15  1.0
  B  B16  1  0.07  0.15  0.15  1.0
  B  B17  1  0.15  0.15  0.07  1.0
  B  B18  1  0.15  0.15  0.22  1.0
  B  B19  1  0.15  0.07  0.15  1.0
  Br  Br20  1  0.07  0.07  0.07  1.0
  Br  Br21  1  0.22  0.22  0.22  1.0
  O  O22  1  0.08  0.9  0.32  1.0
  O  O23  1  0.21  0.4  0.32  1.0
  O  O24  1  0.97  0.9  0.36  1.0
  O  O25  1  0.9  0.36  0.97  1.0
  O  O26  1  0.36  0.32  0.4  1.0
  O  O27  1  0.32  0.9  0.94  1.0
  O  O28  1  0.36  0.97  0.9  1.0
  O  O29  1  0.4  0.94  0.97  1.0
  O  O30  1  0.0  0.0  0.0  1.0
  O  O31  1  0.15  0.15  0.15  1.0
  O  O32  1  0.21  0.9  0.97  1.0
  O  O33  1  0.4  0.36  0.32  1.0
  O  O34  1  0.9  0.94  0.32  1.0
  O  O35  1  0.97  0.4  0.94  1.0
  O  O36  1  0.32  0.4  0.36  1.0
  O  O37  1  0.94  0.32  0.9  1.0
  O  O38  1  0.94  0.97  0.4  1.0
  O  O39  1  0.32  0.08  0.9  1.0
  O  O40  1  0.4  0.97  0.08  1.0
  O  O41  1  0.9  0.97  0.21  1.0
  O  O42  1  0.97  0.21  0.9  1.0
  O  O43  1  0.97  0.08  0.4  1.0
  O  O44  1  0.4  0.32  0.21  1.0
  O  O45  1  0.32  0.21  0.4  1.0
  O  O46  1  0.9  0.32  0.08  1.0
  O  O47  1  0.08  0.4  0.97  1.0

data_Cr3B7BrO13
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   21.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Cr3B7BrO13
_chemical_formula_sum   'Cr18 B42 Br6 O78'
_cell_volume   1393.79
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Cr  Cr0  9  0.02  0.98  0.9  1.0
  Cr  Cr1  9  0.05  0.02  0.95  1.0
  B  B2  9  0.02  0.01  0.85  1.0
  B  B3  9  0.02  0.05  0.83  1.0
  B  B4  9  0.05  0.02  0.88  1.0
  B  B5  9  0.12  0.06  0.9  1.0
  B  B6  3  0.0  0.0  0.02  1.0
  B  B7  3  0.0  0.0  0.87  1.0
  Br  Br8  3  0.0  0.0  0.78  1.0
  Br  Br9  3  0.0  0.0  0.93  1.0
  O  O10  9  0.02  0.8  0.9  1.0
  O  O11  9  0.04  0.04  0.64  1.0
  O  O12  9  0.04  0.5  0.56  1.0
  O  O13  9  0.05  0.56  0.59  1.0
  O  O14  9  0.05  0.18  0.97  1.0
  O  O15  9  0.06  0.51  0.62  1.0
  O  O16  9  0.07  0.25  0.85  1.0
  O  O17  9  0.1  0.09  0.69  1.0
  O  O18  3  0.0  0.0  0.0  1.0
  O  O19  3  0.0  0.0  0.85  1.0

Cr Cr Cr Cr Cr Cr B B B B B B B B B B B B B B Br Br O O O O O O O O O O O O O O O O O O O O O O O O O O