data_Y(ReBr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   139.49
_cell_angle_beta   139.49
_cell_angle_gamma   58.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(ReBr)2
_chemical_formula_sum   'Y1 Re2 Br2'
_cell_volume   101.66
_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
  Y  Y4  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.16  0.72  1.0
  Re  Re3  1  0.16  0.0  0.72  1.0
  Br  Br0  1  0.0  0.0  0.89  1.0
  Br  Br1  1  0.0  0.0  0.99  1.0

data_Y(ReBr)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   119.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y(ReBr)2
_chemical_formula_sum   'Y2 Re4 Br4'
_cell_volume   203.32
_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  '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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Re  Re1  4  0.14  0.42  0.56  1.0
  Br  Br2  2  0.39  0.5  0.89  1.0
  Br  Br3  2  0.49  0.5  0.99  1.0

Y Re Re Br Br