data_[Cr12Mo20]
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 [Amm2]
_cell_length_a [6.1370]
_cell_length_b [8.6806]
_cell_length_c [8.6805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cr3Mo5]
_chemical_formula_sum '[Cr12 Mo20]'
_cell_volume [462.4326]
_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  4  0.2561  0.0000  0.2493  1.0
  Cr  Cr1  4  0.5000  0.2457  0.2491  1.0
  Cr  Cr2  2  0.0000  0.0000  0.4976  1.0
  Cr  Cr3  2  0.5000  0.0000  0.0057  1.0
  Mo  Mo4  8  0.2548  0.2497  0.0001  1.0
  Mo  Mo5  4  0.0000  0.2441  0.2510  1.0
  Mo  Mo6  4  0.2548  0.0000  0.7499  1.0
  Mo  Mo7  2  0.0000  0.0000  0.0046  1.0
  Mo  Mo8  2  0.5000  0.0000  0.4929  1.0
]