data_[Cr8Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.0032]
_cell_length_b [3.0032]
_cell_length_c [21.0117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cr4Mo3]
_chemical_formula_sum '[Cr8 Mo6]'
_cell_volume [189.5023]
_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
[
  Cr  Cr0  4  0.0000  0.0000  0.1386  1.0
  Cr  Cr1  4  0.0000  0.0000  0.4282  1.0
  Mo  Mo2  4  0.0000  0.0000  0.2899  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
]