data_[Nb10Re12Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5152]
_cell_length_b [13.5442]
_cell_length_c [6.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nb5Re6Mo]
_chemical_formula_sum '[Nb10 Re12 Mo2]'
_cell_volume [390.9705]
_cell_formula_units_Z [2]
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  4  0.0000  0.3337  0.0000  1
  Nb  Nb1  4  0.0000  0.3338  0.5000  1
  Nb  Nb2  2  0.0000  0.0000  0.5000  1
  Re  Re3  8  0.0000  0.1656  0.2487  1
  Re  Re4  4  0.0000  0.5000  0.2478  1
  Mo  Mo5  2  0.0000  0.0000  0.0000  1
]