data_YAuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.02
_cell_length_c   3.5
_cell_angle_alpha   76.19
_cell_angle_beta   74.97
_cell_angle_gamma   28.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAuBr
_chemical_formula_sum   'Y1 Au1 Br1'
_cell_volume   80.75
_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  0.42  0.53  0.41  1.0
  Au  Au0  1  0.42  0.53  0.72  1.0
  Br  Br1  1  0.42  0.53  0.21  1.0

data_YAuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   13.17
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   133.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAuBr
_chemical_formula_sum   'Y2 Au2 Br2'
_cell_volume   161.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.42  0.0  0.83  1.0
  Au  Au1  2  0.42  0.0  0.14  1.0
  Br  Br2  2  0.42  0.0  0.63  1.0

Y Au Br