data_InGeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   149.74
_cell_angle_beta   145.71
_cell_angle_gamma   46.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeBi
_chemical_formula_sum   'In1 Ge1 Bi1'
_cell_volume   79.85
_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
  In  In2  1  0.0  0.0  0.83  1.0
  Ge  Ge1  1  0.0  0.0  0.02  1.0
  Bi  Bi0  1  0.0  0.0  0.21  1.0

data_InGeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.87
_cell_length_c   6.56
_cell_angle_alpha   107.15
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeBi
_chemical_formula_sum   'In1 Ge1 Bi1'
_cell_volume   79.85
_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
  In  In0  1  0.17  0.17  0.17  1.0
  Ge  Ge1  1  0.98  0.98  0.98  1.0
  Bi  Bi2  1  0.79  0.79  0.79  1.0

In Ge Bi
In Ge Bi 0 1 o o + 1 2 o o o 