data_[V10Cr2H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9777]
_cell_length_b [3.0392]
_cell_length_c [6.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V5CrH4]
_chemical_formula_sum '[V10 Cr2 H8]'
_cell_volume [178.1025]
_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  0.1639  0.0000  0.8432  1.0
  V  V1  4  0.1750  0.0000  0.3387  1.0
  V  V2  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr3  2  0.0000  0.5000  0.0000  1.0
  H  H4  4  0.0034  0.0000  0.3455  1.0
  H  H5  4  0.1647  0.5000  0.1796  1.0
]