data_YRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.05
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRhBr2
_chemical_formula_sum   'Y1 Rh1 Br2'
_cell_volume   110.72
_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  0.08  0.0  0.83  1.0
  Rh  Rh2  1  0.95  0.02  0.19  1.0
  Br  Br0  1  0.5  0.02  0.64  1.0
  Br  Br1  1  0.92  0.0  0.45  1.0

data_YRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.05
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRhBr2
_chemical_formula_sum   'Y1 Rh1 Br2'
_cell_volume   110.72
_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  0.08  0.0  0.83  1.0
  Rh  Rh1  1  0.95  0.02  0.19  1.0
  Br  Br2  1  0.5  0.02  0.64  1.0
  Br  Br3  1  0.92  0.0  0.45  1.0

Y Rh Br Br