data_[Nb6Re4Mo4]
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 [C2/m]
_cell_length_a [9.6680]
_cell_length_b [4.5508]
_cell_length_c [5.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb3(ReMo)2]
_chemical_formula_sum '[Nb6 Re4 Mo4]'
_cell_volume [233.2860]
_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  0.2128  0.5000  0.8516  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  Re  Re2  4  0.1429  0.0000  0.5699  1.0
  Mo  Mo3  4  0.0713  0.5000  0.2920  1.0
]