data_[Cr6B4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7295]
_cell_length_b [3.0393]
_cell_length_c [5.8396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr3(BMo)2]
_chemical_formula_sum '[Cr6 B4 Mo4]'
_cell_volume [153.6148]
_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  0.1803  0.5000  0.8590  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0710  0.0000  0.6328  1.0
  Mo  Mo3  4  0.1328  0.5000  0.3593  1.0
]