data_[Cr24Mo8]
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 [Cm]
_cell_length_a [8.3531]
_cell_length_b [8.3113]
_cell_length_c [5.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr3Mo]
_chemical_formula_sum '[Cr24 Mo8]'
_cell_volume [409.9502]
_cell_formula_units_Z [8]
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  0.2526  0.2470  1.0
  Cr  Cr1  4  0.0007  0.2523  0.7528  1.0
  Cr  Cr2  4  0.2493  0.2522  0.0028  1.0
  Cr  Cr3  4  0.2500  0.2514  0.4970  1.0
  Cr  Cr4  2  0.0030  0.5000  0.0018  1.0
  Cr  Cr5  2  0.2472  0.5000  0.2467  1.0
  Cr  Cr6  2  0.2475  0.5000  0.7529  1.0
  Cr  Cr7  2  0.2524  0.0000  0.2486  1.0
  Mo  Mo8  2  0.0036  0.5000  0.4965  1.0
  Mo  Mo9  2  0.2533  0.0000  0.7537  1.0
  Mo  Mo10  2  0.4964  0.5000  0.0025  1.0
  Mo  Mo11  2  0.4965  0.5000  0.4978  1.0
]