data_GeBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.48
_cell_angle_alpha   91.86
_cell_angle_beta   91.86
_cell_angle_gamma   100.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Ir
_chemical_formula_sum   'Ge1 Bi2 Ir1'
_cell_volume   91.08
_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
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.56  0.99  0.74  1.0
  Bi  Bi1  1  0.56  0.01  0.74  1.0
  Ir  Ir3  1  0.3  0.0  0.0  1.0

data_GeBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   100.56
_cell_angle_beta   91.86
_cell_angle_gamma   91.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Ir
_chemical_formula_sum   'Ge1 Bi2 Ir1'
_cell_volume   91.08
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.74  0.56  0.01  1.0
  Bi  Bi2  1  0.74  0.56  0.99  1.0
  Ir  Ir3  1  0.0  0.3  0.0  1.0

Ge Bi Bi Ir