data_[Ba2Ni4As2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2417]
_cell_length_b [5.0541]
_cell_length_c [6.7617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNi2AsH2]
_chemical_formula_sum '[Ba2 Ni4 As2 H4]'
_cell_volume [202.8163]
_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  0.3180  0.7500  0.6824  1.0
  Ni  Ni1  4  0.1600  0.5020  0.1910  1.0
  As  As2  2  0.1685  0.2500  0.9094  1.0
  H  H3  2  0.2198  0.2500  0.3581  1.0
  H  H4  2  0.3384  0.7500  0.2774  1.0
]