data_Nb2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnRu
_chemical_formula_sum   'Nb2 Sn1 Ru1'
_cell_volume   71.99
_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  0.04  0.0  0.26  1.0
  Nb  Nb1  1  0.04  0.0  0.74  1.0
  Sn  Sn3  1  0.0  0.0  1.0  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Nb2SnRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.01
_cell_length_b   7.99
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   94.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2SnRu
_chemical_formula_sum   'Nb2 Sn1 Ru1'
_cell_volume   71.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.04  0.26  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

Nb Nb Sn Ru 0 3 o o o 0 2 o o - 1 3 o o + 1 2 o o o 2 3 o o + 