data_[Cr2Mo10]
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 [C2/m]
_cell_length_a [9.8576]
_cell_length_b [3.1302]
_cell_length_c [6.2565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrMo5]
_chemical_formula_sum '[Cr2 Mo10]'
_cell_volume [183.1642]
_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  2  0.0000  0.0000  0.0000  1.0
  Mo  Mo1  4  0.1640  0.5000  0.3275  1.0
  Mo  Mo2  4  0.1655  0.5000  0.8367  1.0
  Mo  Mo3  2  0.0000  0.0000  0.5000  1.0
]