data_NbCrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.76
_cell_angle_alpha   100.64
_cell_angle_beta   100.64
_cell_angle_gamma   34.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrRu2
_chemical_formula_sum   'Nb1 Cr1 Ru2'
_cell_volume   58.1
_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  Nb1  1  0.03  0.0  0.34  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.41  0.0  0.06  1.0
  Ru  Ru3  1  0.64  0.0  0.62  1.0

data_NbCrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.69
_cell_length_c   4.76
_cell_angle_alpha   100.64
_cell_angle_beta   90.0
_cell_angle_gamma   107.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrRu2
_chemical_formula_sum   'Nb1 Cr1 Ru2'
_cell_volume   58.1
_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  0.97  0.66  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.36  0.38  1.0
  Ru  Ru3  1  0.0  0.59  0.94  1.0

Nb Cr Ru Ru