data_[Be2V2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.5186]
_cell_length_b [4.3248]
_cell_length_c [4.7013]
_cell_angle_alpha [105.0026]
_cell_angle_beta [102.6318]
_cell_angle_gamma [90.9266]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeVH]
_chemical_formula_sum '[Be2 V2 H2]'
_cell_volume [48.1225]
_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
[
  Be  Be0  1  0.3535  0.0758  0.4118  1
  Be  Be1  1  0.6702  0.7743  0.0421  1
  V  V2  1  0.1331  0.2329  0.9157  1
  V  V3  1  0.8940  0.5963  0.5398  1
  H  H4  1  0.5106  0.9245  0.7165  1
  H  H5  1  0.7280  0.4657  0.1408  1
]