data_YGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.4
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Br
_chemical_formula_sum   'Y1 Ga2 Br1'
_cell_volume   94.24
_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  0.37  0.2  0.13  1.0
  Ga  Ga1  1  0.38  0.2  0.41  1.0
  Ga  Ga2  1  0.24  0.0  0.26  1.0
  Br  Br0  1  0.57  0.0  0.13  1.0

data_YGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.4
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Br
_chemical_formula_sum   'Y1 Ga2 Br1'
_cell_volume   94.24
_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  0.37  0.2  0.13  1.0
  Ga  Ga1  1  0.24  0.0  0.26  1.0
  Ga  Ga2  1  0.38  0.2  0.41  1.0
  Br  Br3  1  0.57  0.0  0.13  1.0

Y Ga Ga Br
Y Ga Ga Br 0 3 o o o 0 2 o o o 1 2 o o o 