data_[V3Cr3Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.4893]
_cell_length_b [12.6826]
_cell_length_c [4.4988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [VCrSi4]
_chemical_formula_sum '[V3 Cr3 Si12]'
_cell_volume [222.2146]
_cell_formula_units_Z [3]
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  1  0.0000  0.7501  0.5000  1.0
  V  V1  1  0.5000  0.4164  0.5000  1.0
  V  V2  1  0.5000  0.9169  0.5000  1.0
  Cr  Cr3  1  0.0000  0.2488  0.5000  1.0
  Cr  Cr4  1  0.5000  0.0841  0.0000  1.0
  Cr  Cr5  1  0.5000  0.5837  0.0000  1.0
  Si  Si6  2  0.1624  0.0840  0.3299  1.0
  Si  Si7  2  0.1638  0.4165  0.8341  1.0
  Si  Si8  2  0.1653  0.5831  0.3276  1.0
  Si  Si9  2  0.1657  0.9175  0.8394  1.0
  Si  Si10  2  0.3260  0.7493  0.1618  1.0
  Si  Si11  2  0.3300  0.2496  0.1638  1.0
]