data_[Ba4Ni4As4H2]
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 [C2/m]
_cell_length_a [11.5402]
_cell_length_b [4.2069]
_cell_length_c [7.5523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ni2As2H]
_chemical_formula_sum '[Ba4 Ni4 As4 H2]'
_cell_volume [296.5164]
_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  4  0.0469  0.5000  0.3042  1.0
  Ni  Ni1  4  0.1791  0.0000  0.0877  1.0
  As  As2  4  0.2113  0.0000  0.7926  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
]