data_Na2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   149.74
_cell_angle_beta   139.59
_cell_angle_gamma   51.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrRu
_chemical_formula_sum   'Na2 Cr1 Ru1'
_cell_volume   65.14
_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
  Na  Na1  1  0.0  0.02  0.62  1.0
  Na  Na2  1  0.53  0.0  0.65  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.28  1.0

data_Na2CrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.04
_cell_length_c   5.85
_cell_angle_alpha   110.21
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrRu
_chemical_formula_sum   'Na2 Cr1 Ru1'
_cell_volume   65.14
_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
  Na  Na0  1  0.0  0.65  0.12  1.0
  Na  Na1  1  0.98  0.6  0.6  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.28  0.28  1.0

Na Na Cr Ru
Na Na Cr Ru 0 3 o o o 0 2 o o + 1 3 o o o 1 2 + o + 2 3 o o o 