data_NbCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   144.63
_cell_angle_beta   129.69
_cell_angle_gamma   62.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Ru
_chemical_formula_sum   'Nb1 Cr2 Ru1'
_cell_volume   55.58
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.52  0.0  0.1  1.0
  Cr  Cr1  1  0.0  0.13  0.18  1.0
  Ru  Ru3  1  0.0  0.0  0.28  1.0

data_NbCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.26
_cell_length_c   5.02
_cell_angle_alpha   115.15
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Ru
_chemical_formula_sum   'Nb1 Cr2 Ru1'
_cell_volume   55.58
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.1  0.58  1.0
  Cr  Cr2  1  0.87  0.04  0.04  1.0
  Ru  Ru3  1  0.0  0.28  0.28  1.0

Nb Cr Cr Ru