data_Y2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.61
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AsBr
_chemical_formula_sum   'Y2 As1 Br1'
_cell_volume   94.96
_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  Y2  1  0.74  0.81  0.65  1.0
  Y  Y3  1  0.8  0.81  0.61  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.96  0.0  0.63  1.0

data_Y2AsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.62
_cell_length_c   7.27
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AsBr
_chemical_formula_sum   'Y2 As1 Br1'
_cell_volume   94.96
_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  0.19  0.2  0.39  1.0
  Y  Y1  1  0.19  0.26  0.35  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.04  0.37  1.0

Y Y As Br