data_GaFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   152.53
_cell_angle_beta   139.72
_cell_angle_gamma   49.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeBi2
_chemical_formula_sum   'Ga1 Fe1 Bi2'
_cell_volume   95.58
_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  Ga3  1  0.0  0.36  0.25  1.0
  Fe  Fe2  1  0.0  0.0  0.31  1.0
  Bi  Bi0  1  0.0  0.0  0.06  1.0
  Bi  Bi1  1  0.63  0.0  0.83  1.0

data_GaFeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.72
_cell_length_c   6.85
_cell_angle_alpha   110.14
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeBi2
_chemical_formula_sum   'Ga1 Fe1 Bi2'
_cell_volume   95.58
_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  0.75  0.11  0.11  1.0
  Fe  Fe1  1  0.69  0.69  0.69  1.0
  Bi  Bi2  1  0.79  0.17  0.79  1.0
  Bi  Bi3  1  0.94  0.94  0.94  1.0

Ga Fe Bi Bi