data_Ge2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsIr
_chemical_formula_sum   'Ge2 As1 Ir1'
_cell_volume   71.27
_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  0.46  0.0  0.54  1.0
  Ge  Ge2  1  0.0  0.0  0.02  1.0
  As  As0  1  0.0  0.0  0.76  1.0
  Ir  Ir3  1  0.46  0.0  0.86  1.0

data_Ge2AsIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.92
_cell_length_b   5.05
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2AsIr
_chemical_formula_sum   'Ge4 As2 Ir2'
_cell_volume   142.55
_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
  Ge  Ge0  2  0.0  0.0  0.98  1.0
  Ge  Ge1  2  0.04  0.5  0.46  1.0
  As  As2  2  0.0  0.0  0.24  1.0
  Ir  Ir3  2  0.04  0.5  0.14  1.0

Ge Ge As Ir
Ge Ge As Ir 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 2 o - o 0 2 + + o 0 2 + o o 0 3 o o o 1 3 - o - 1 3 o o - 1 2 o o - 2 3 - o o 2 3 o o o 