data_YReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   4.67
_cell_angle_alpha   91.42
_cell_angle_beta   91.42
_cell_angle_gamma   28.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReBr2
_chemical_formula_sum   'Y1 Re1 Br2'
_cell_volume   112.25
_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  Y3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.86  0.0  0.33  1.0
  Br  Br0  1  0.04  0.0  0.13  1.0
  Br  Br1  1  0.67  0.0  0.54  1.0

data_YReBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.67
_cell_length_c   7.13
_cell_angle_alpha   91.42
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReBr2
_chemical_formula_sum   'Y1 Re1 Br2'
_cell_volume   112.25
_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  Y0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.33  0.86  1.0
  Br  Br2  1  0.0  0.13  0.04  1.0
  Br  Br3  1  0.0  0.54  0.67  1.0

Y Re Br Br