data_[V6Cr2H8]
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 [Pmn2_1]
_cell_length_a [6.2434]
_cell_length_b [4.4191]
_cell_length_c [4.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [V3CrH4]
_chemical_formula_sum '[V6 Cr2 H8]'
_cell_volume [123.3393]
_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  0.2496  0.2462  1.0000  1.0
  V  V1  2  0.0000  0.2581  0.5007  1.0
  Cr  Cr2  2  0.0000  0.7456  0.0036  1.0
  H  H3  4  0.2435  0.6269  0.8767  1.0
  H  H4  2  0.0000  0.1059  0.8654  1.0
  H  H5  2  0.0000  0.8831  0.3617  1.0
]