data_YbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   22.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbBr3
_chemical_formula_sum   'Yb2 Br6'
_cell_volume   893.15
_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
  Yb  Yb0  1  0.33  0.67  0.49  1.0
  Yb  Yb1  1  0.67  0.33  0.51  1.0
  Br  Br2  1  0.3  0.33  0.57  1.0
  Br  Br3  1  0.03  0.7  0.57  1.0
  Br  Br4  1  0.67  0.97  0.57  1.0
  Br  Br5  1  0.33  0.03  0.43  1.0
  Br  Br6  1  0.97  0.3  0.43  1.0
  Br  Br7  1  0.7  0.67  0.43  1.0

Yb Yb Br Br Br Br Br Br 0 6 - o o 0 5 o + o 0 3 o o o 0 2 o o o 0 7 o o o 0 4 o o o 1 5 o o o 1 2 o o o 1 7 o o o 1 6 o o o 1 4 o - o 1 3 + o o 
data_YbBr3
_symmetry_space_group_name_H-M   P-3
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   22.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   147
_chemical_formula_structural   YbBr3
_chemical_formula_sum   'Yb2 Br6'
_cell_volume   893.15
_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  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -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
  Yb  Yb0  2  0.33  0.67  0.49  1.0
  Br  Br1  6  0.03  0.7  0.57  1.0

Yb Yb Br Br Br Br Br Br