data_In2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   132.1
_cell_angle_beta   132.1
_cell_angle_gamma   70.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeRu
_chemical_formula_sum   'In2 Ge1 Ru1'
_cell_volume   75.91
_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  In1  1  0.11  0.0  0.13  1.0
  In  In2  1  0.0  0.0  0.26  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.11  0.13  1.0

data_In2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.2
_cell_angle_alpha   113.95
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeRu
_chemical_formula_sum   'In2 Ge1 Ru1'
_cell_volume   75.91
_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  0.74  0.0  0.74  1.0
  In  In1  1  0.87  0.0  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.98  0.11  0.98  1.0

In In Ge Ru
In In Ge Ru 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 