data_[V4Fe2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7060]
_cell_length_b [4.0586]
_cell_length_c [2.5421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V2FeH]
_chemical_formula_sum '[V4 Fe2 H2]'
_cell_volume [78.9366]
_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  0.0033  0.0000  0.8688  1
  V  V1  2  0.1807  0.5000  0.4989  1
  Fe  Fe2  2  0.3185  0.0000  0.2401  1
  H  H3  2  0.4978  0.0000  0.8922  1
]