data_[Cr4Re4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1488]
_cell_length_b [4.3188]
_cell_length_c [5.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrReMo]
_chemical_formula_sum '[Cr4 Re4 Mo4]'
_cell_volume [171.5414]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  2  0.3481  0.5000  0.5741  1
  Cr  Cr1  2  0.4981  0.0000  0.8866  1
  Re  Re2  2  0.1735  0.0000  0.2299  1
  Re  Re3  2  0.3345  0.5000  0.0656  1
  Mo  Mo4  2  0.0123  0.5000  0.3953  1
  Mo  Mo5  2  0.1726  0.0000  0.7300  1
]