data_[V12Cr8Mo16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3301]
_cell_length_b [9.6396]
_cell_length_c [4.8751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V3(CrMo2)2]
_chemical_formula_sum '[V12 Cr8 Mo16]'
_cell_volume [520.0738]
_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
[
  V  V0  8  0.0987  0.0654  0.5425  1
  V  V1  4  0.0000  0.4997  0.7500  1
  Cr  Cr2  8  0.2187  0.4150  0.0881  1
  Mo  Mo3  8  0.0741  0.2312  0.0378  1
  Mo  Mo4  8  0.1723  0.3319  0.5897  1
]