data_[Nb3Re2Mo1]
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 [P4/mmm]
_cell_length_a [3.2190]
_cell_length_b [3.2190]
_cell_length_c [9.6670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nb3Re2Mo]
_chemical_formula_sum '[Nb3 Re2 Mo1]'
_cell_volume [100.1662]
_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  2  0.0000  0.0000  0.3325  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Re  Re2  2  0.5000  0.5000  0.1657  1.0
  Mo  Mo3  1  0.5000  0.5000  0.5000  1.0
]