[CIF]
data_Nb2RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04639060
_cell_length_b   3.04639060
_cell_length_c   7.03783088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.09323161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2RuSe
_chemical_formula_sum   'Nb2 Ru1 Se1'
_cell_volume   65.30267030
_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  2.13347487  0.00000000  1.79070646  1
  Nb  Nb1  1  2.13347487  0.00000000  5.24712442  1
  Ru  Ru2  1  0.00000000  0.00000000  3.51891544  1
  Se  Se3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
