data_YGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   128.33
_cell_angle_beta   128.33
_cell_angle_gamma   76.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Br
_chemical_formula_sum   'Y1 Ga2 Br1'
_cell_volume   90.29
_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  0.32  0.0  0.1  1.0
  Ga  Ga1  1  0.0  0.32  0.1  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.19  1.0

data_YGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.32
_cell_angle_alpha   115.83
_cell_angle_beta   115.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Br
_chemical_formula_sum   'Y1 Ga2 Br1'
_cell_volume   90.29
_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  0.9  0.0  0.22  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.22  0.32  0.22  1.0
  Br  Br3  1  0.81  0.0  0.81  1.0

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