data_[Re6Mo26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.3217]
_cell_length_b [8.9265]
_cell_length_c [8.9503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Re3Mo13]
_chemical_formula_sum '[Re6 Mo26]'
_cell_volume [505.0705]
_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
[
  Re  Re0  4  0.2507  0.0000  0.9990  1.0
  Re  Re1  2  0.0000  0.0000  0.2522  1.0
  Mo  Mo2  8  0.2503  0.2497  0.7495  1.0
  Mo  Mo3  4  0.0000  0.2497  0.5004  1.0
  Mo  Mo4  4  0.2502  0.0000  0.4996  1.0
  Mo  Mo5  4  0.5000  0.2488  0.5006  1.0
  Mo  Mo6  2  0.0000  0.0000  0.7496  1.0
  Mo  Mo7  2  0.5000  0.0000  0.2507  1.0
  Mo  Mo8  2  0.5000  0.0000  0.7507  1.0
]