data_YRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   150.88
_cell_angle_beta   146.11
_cell_angle_gamma   45.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRhBr2
_chemical_formula_sum   'Y1 Rh1 Br2'
_cell_volume   101.42
_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  0.96  1.0
  Rh  Rh2  1  0.0  0.1  0.35  1.0
  Br  Br0  1  0.81  0.0  0.27  1.0
  Br  Br1  1  0.0  0.0  0.74  1.0

data_YRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.2
_cell_length_c   7.21
_cell_angle_alpha   106.94
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRhBr2
_chemical_formula_sum   'Y1 Rh1 Br2'
_cell_volume   101.42
_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  0.04  0.04  0.04  1.0
  Rh  Rh1  1  0.65  0.75  0.75  1.0
  Br  Br2  1  0.26  0.26  0.26  1.0
  Br  Br3  1  0.55  0.73  0.55  1.0

Y Rh Br Br
Y Rh Br Br 0 3 o o o 1 2 - o o 