data_[V4Cr2H4]
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 [P-1]
_cell_length_a [4.3819]
_cell_length_b [5.0433]
_cell_length_c [5.0705]
_cell_angle_alpha [96.5110]
_cell_angle_beta [113.3365]
_cell_angle_gamma [115.0778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V2CrH2]
_chemical_formula_sum '[V4 Cr2 H4]'
_cell_volume [87.6958]
_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  2  0.2414  0.7584  0.7333  1.0
  V  V1  2  0.3994  0.5848  0.2345  1.0
  Cr  Cr2  2  0.1116  0.9092  0.2655  1.0
  H  H3  2  0.2226  0.2892  0.3871  1.0
  H  H4  2  0.3699  0.2562  0.9894  1.0
]