data_[Ba2V2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5159]
_cell_length_b [3.9702]
_cell_length_c [9.8955]
_cell_angle_alpha [97.1459]
_cell_angle_beta [98.6788]
_cell_angle_gamma [92.6025]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaVH]
_chemical_formula_sum '[Ba2 V2 H2]'
_cell_volume [135.1973]
_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
[
  Ba  Ba0  2  0.2924  0.7539  0.7157  1
  V  V1  2  0.1623  0.6973  0.0447  1
  H  H2  2  0.1987  0.7170  0.2342  1
]