data_YBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.86
_cell_angle_alpha   116.03
_cell_angle_beta   116.03
_cell_angle_gamma   32.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBr2Cl
_chemical_formula_sum   'Y1 Br2 Cl1'
_cell_volume   144.86
_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  0.18  0.0  0.82  1.0
  Br  Br0  1  0.68  0.0  0.64  1.0
  Br  Br1  1  0.6  0.0  0.95  1.0
  Cl  Cl2  1  0.62  0.0  0.86  1.0

data_YBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   6.65
_cell_length_c   6.86
_cell_angle_alpha   116.03
_cell_angle_beta   90.0
_cell_angle_gamma   106.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBr2Cl
_chemical_formula_sum   'Y1 Br2 Cl1'
_cell_volume   144.86
_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  0.82  0.18  1.0
  Br  Br1  1  0.0  0.32  0.36  1.0
  Br  Br2  1  0.0  0.4  0.05  1.0
  Cl  Cl3  1  0.0  0.38  0.14  1.0

Y Br Br Cl