data_Y2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.98
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   93.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaBi
_chemical_formula_sum   'Y2 Ga1 Bi1'
_cell_volume   104.89
_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  0.88  0.99  0.64  1.0
  Y  Y3  1  0.65  0.99  0.13  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.82  0.0  0.39  1.0

data_Y2GaBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.89
_cell_length_b   3.98
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   93.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2GaBi
_chemical_formula_sum   'Y2 Ga1 Bi1'
_cell_volume   104.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.65  0.0  0.13  1.0
  Y  Y1  1  0.88  0.0  0.64  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.82  0.0  0.39  1.0

Y Y Ga Bi
Y Y Ga Bi 0 3 o + o 1 2 + + o 1 3 o + o 