data_[Ni8As2H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [4.2843]
_cell_length_b [4.8461]
_cell_length_c [6.8246]
_cell_angle_alpha [94.0305]
_cell_angle_beta [108.0701]
_cell_angle_gamma [115.6118]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni8As2H]
_chemical_formula_sum '[Ni8 As2 H1]'
_cell_volume [117.9667]
_cell_formula_units_Z [1]
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
[
  Ni  Ni0  2  0.0213  0.7514  0.9405  1
  Ni  Ni1  2  0.1770  0.2610  0.4635  1
  Ni  Ni2  2  0.3757  0.2638  0.8512  1
  Ni  Ni3  2  0.4573  0.7870  0.7460  1
  As  As4  2  0.1828  0.7036  0.3222  1
  H  H5  1  0.5000  0.0000  0.0000  1
]