data_Y3CBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   35.63
_cell_angle_beta   35.63
_cell_angle_gamma   35.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3CBr3
_chemical_formula_sum   'Y6 C2 Br6'
_cell_volume   375.47
_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
  Y  Y0  1  0.16  0.22  0.41  1.0
  Y  Y1  1  0.96  0.9  0.41  1.0
  Y  Y2  1  0.88  0.88  0.41  1.0
  Y  Y3  1  0.12  0.12  0.72  1.0
  Y  Y4  1  0.04  0.1  0.72  1.0
  Y  Y5  1  0.84  0.78  0.72  1.0
  C  C6  1  0.0  0.0  0.04  1.0
  C  C7  1  0.0  0.0  0.09  1.0
  Br  Br8  1  0.84  0.9  0.32  1.0
  Br  Br9  1  0.94  0.05  0.32  1.0
  Br  Br10  1  0.22  0.05  0.32  1.0
  Br  Br11  1  0.78  0.95  0.82  1.0
  Br  Br12  1  0.06  0.95  0.82  1.0
  Br  Br13  1  0.16  0.1  0.82  1.0

data_Y3CBr3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   10.74
_cell_angle_alpha   72.18
_cell_angle_beta   72.18
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3CBr3
_chemical_formula_sum   'Y6 C2 Br6'
_cell_volume   375.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  2  0.1  0.15  0.2  1.0
  Y  Y1  2  0.12  0.15  0.11  1.0
  Y  Y2  2  0.22  0.85  0.27  1.0
  C  C3  2  0.0  0.48  0.02  1.0
  Br  Br4  2  0.05  0.75  0.76  1.0
  Br  Br5  2  0.05  0.75  0.48  1.0
  Br  Br6  2  0.1  0.25  0.99  1.0

Y Y Y Y Y Y C C Br Br Br Br Br Br