data_In2CuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuRu
_chemical_formula_sum   'In2 Cu1 Ru1'
_cell_volume   74.08
_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
  In  In1  1  0.62  0.62  0.65  1.0
  In  In2  1  0.0  0.0  0.17  1.0
  Cu  Cu0  1  0.0  0.0  0.06  1.0
  Ru  Ru3  1  0.62  0.62  0.76  1.0

data_In2CuRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2CuRu
_chemical_formula_sum   'In4 Cu2 Ru2'
_cell_volume   148.16
_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
  In  In0  2  0.0  0.0  0.17  1.0
  In  In1  2  0.12  0.5  0.65  1.0
  Cu  Cu2  2  0.0  0.0  0.06  1.0
  Ru  Ru3  2  0.12  0.5  0.76  1.0

In In Cu Ru
In In Cu Ru 0 3 o o o 1 2 o o o 