data_[V10As2Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1225]
_cell_length_b [6.4551]
_cell_length_c [12.3977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V5AsRu6]
_chemical_formula_sum '[V10 As2 Ru12]'
_cell_volume [329.9172]
_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
[
  V  V0  4  0.0000  0.0000  0.3530  1
  V  V1  4  0.0000  0.5000  0.3163  1
  V  V2  2  0.0000  0.5000  0.0000  1
  As  As3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  8  0.0000  0.2361  0.1676  1
  Ru  Ru5  4  0.0000  0.2739  0.5000  1
]