data_GaSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiBi2
_chemical_formula_sum   'Ga1 Si1 Bi2'
_cell_volume   99.55
_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
  Ga  Ga2  1  0.21  0.0  0.97  1.0
  Si  Si3  1  0.0  0.0  0.54  1.0
  Bi  Bi0  1  0.21  0.0  0.4  1.0
  Bi  Bi1  1  0.0  0.0  0.33  1.0

data_GaSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiBi2
_chemical_formula_sum   'Ga1 Si1 Bi2'
_cell_volume   99.55
_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
  Ga  Ga0  1  0.21  0.0  0.97  1.0
  Si  Si1  1  0.0  0.0  0.54  1.0
  Bi  Bi2  1  0.0  0.0  0.33  1.0
  Bi  Bi3  1  0.21  0.0  0.4  1.0

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