data_GeBiIr
_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   152.68
_cell_angle_beta   151.09
_cell_angle_gamma   40.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiIr
_chemical_formula_sum   'Ge1 Bi1 Ir1'
_cell_volume   62.5
_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  Ge1  1  0.0  0.0  0.63  1.0
  Bi  Bi0  1  0.0  0.0  0.25  1.0
  Ir  Ir2  1  0.0  0.0  0.44  1.0

data_GeBiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.28
_cell_length_c   6.56
_cell_angle_alpha   104.46
_cell_angle_beta   103.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiIr
_chemical_formula_sum   'Ge1 Bi1 Ir1'
_cell_volume   62.5
_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  0.63  0.63  1.0
  Bi  Bi1  1  0.0  0.25  0.25  1.0
  Ir  Ir2  1  0.0  0.44  0.44  1.0

Ge Bi Ir