data_[Ta4V2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [4.7206]
_cell_length_b [5.4997]
_cell_length_c [5.5163]
_cell_angle_alpha [96.0190]
_cell_angle_beta [114.8146]
_cell_angle_gamma [114.8871]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta2VH2]
_chemical_formula_sum '[Ta4 V2 H4]'
_cell_volume [110.8150]
_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
[
  Ta  Ta0  2  0.0884  0.2550  0.4027  1.0
  Ta  Ta1  2  0.2539  0.7628  0.2404  1.0
  V  V2  2  0.4003  0.2429  0.0872  1.0
  H  H3  2  0.1209  0.5023  0.7110  1.0
  H  H4  2  0.2869  0.1400  0.7251  1.0
]