data_Cr2InRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   144.51
_cell_angle_beta   130.48
_cell_angle_gamma   62.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InRu
_chemical_formula_sum   'Cr2 In1 Ru1'
_cell_volume   57.72
_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
  Cr  Cr0  1  0.0  0.13  0.26  1.0
  Cr  Cr1  1  0.55  0.0  0.1  1.0
  In  In2  1  0.0  0.0  0.36  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Cr2InRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.27
_cell_length_c   5.09
_cell_angle_alpha   114.76
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InRu
_chemical_formula_sum   'Cr2 In1 Ru1'
_cell_volume   57.72
_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
  Cr  Cr0  1  0.0  0.1  0.54  1.0
  Cr  Cr1  1  0.87  0.13  0.13  1.0
  In  In2  1  0.0  0.36  0.36  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Cr Cr In Ru
Cr Cr In Ru 0 3 o o o 0 1 - o o 0 2 o o o 1 2 + o o 