data_Y2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaSb
_chemical_formula_sum   'Y2 Ga1 Sb1'
_cell_volume   106.56
_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  0.0  0.0  0.27  1.0
  Y  Y3  1  0.52  0.0  0.54  1.0
  Ga  Ga0  1  0.0  0.0  0.72  1.0
  Sb  Sb1  1  0.52  0.0  0.28  1.0

data_Y2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaSb
_chemical_formula_sum   'Y2 Ga1 Sb1'
_cell_volume   106.56
_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  0.0  0.27  1.0
  Y  Y1  1  0.52  0.0  0.54  1.0
  Ga  Ga2  1  0.0  0.0  0.72  1.0
  Sb  Sb3  1  0.52  0.0  0.28  1.0

Y Y Ga Sb
Y Y Ga Sb 0 3 - o o 0 3 o o o 1 2 o o o 1 2 + o o 1 3 o o o 