data_InCuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   145.78
_cell_angle_beta   128.87
_cell_angle_gamma   62.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuRu2
_chemical_formula_sum   'In1 Cu1 Ru2'
_cell_volume   60.71
_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  0.0  0.24  0.16  1.0
  Cu  Cu0  1  0.0  0.0  0.39  1.0
  Ru  Ru2  1  0.0  0.0  0.07  1.0
  Ru  Ru3  1  0.53  0.0  0.23  1.0

data_InCuRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.48
_cell_length_c   5.19
_cell_angle_alpha   115.57
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuRu2
_chemical_formula_sum   'In1 Cu1 Ru2'
_cell_volume   60.71
_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  0.76  0.92  0.92  1.0
  Cu  Cu1  1  0.0  0.39  0.39  1.0
  Ru  Ru2  1  0.0  0.07  0.07  1.0
  Ru  Ru3  1  0.0  0.23  0.7  1.0

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