data_BeGeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   138.33
_cell_angle_beta   138.33
_cell_angle_gamma   60.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeIr
_chemical_formula_sum   'Be1 Ge1 Ir1'
_cell_volume   38.39
_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
  Be  Be0  1  0.0  0.0  0.04  1.0
  Ge  Ge1  1  0.0  0.0  0.57  1.0
  Ir  Ir2  1  0.0  0.0  0.07  1.0

data_BeGeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   120.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGeIr
_chemical_formula_sum   'Be2 Ge2 Ir2'
_cell_volume   76.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.46  0.5  0.96  1.0
  Ge  Ge1  2  0.43  0.0  0.43  1.0
  Ir  Ir2  2  0.43  0.5  0.93  1.0

Be Ge Ir
Be Ge Ir 0 2 o o o 0 1 o o o 0 1 o o - 1 2 o o o 1 2 o o + 